butane;1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-4-(2-methylpropanoylamino)pyrrolidine-2-carboxamide;ethane

C26H51N5O4 — CID 170953912

IUPACbutane;1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-4-(2-methylpropanoylamino)pyrrolidine-2-carboxamide;ethane
SMILESCC.CCCC.CNCC(=O)NC(C(=O)N1CC(NC(=O)C(C)C)CC1C(N)=O)C1CCCCC1
InChIInChI=1S/C20H35N5O4.C4H10.C2H6/c1-12(2)19(28)23-14-9-15(18(21)27)25(11-14)20(29)17(24-16(26)10-22-3)13-7-5-4-6-8-13;1-3-4-2;1-2/h12-15,17,22H,4-11H2,1-3H3,(H2,21,27)(H,23,28)(H,24,26);3-4H2,1-2H3;1-2H3
InChIKeySQORETNNCOTIBJ-UHFFFAOYSA-N
MW497.73 g/mol
LogP2.33
Rot. Bonds9

About butane;1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-4-(2-methylpropanoylamino)pyrrolidine-2-carboxamide;ethane

butane;1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-4-(2-methylpropanoylamino)pyrrolidine-2-carboxamide;ethane (PubChem CID 170953912) has the molecular formula C26H51N5O4 and a molecular weight of 497.73 g/mol. Its IUPAC name is butane;1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-4-(2-methylpropanoylamino)pyrrolidine-2-carboxamide;ethane.

Molecular Properties

Compound Namebutane;1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-4-(2-methylpropanoylamino)pyrrolidine-2-carboxamide;ethane
PubChem CID170953912
Molecular FormulaC26H51N5O4
Molecular Weight497.73 g/mol
Exact Mass497.39
IUPAC Namebutane;1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-4-(2-methylpropanoylamino)pyrrolidine-2-carboxamide;ethane
SMILESCC.CCCC.CNCC(=O)NC(C(=O)N1CC(NC(=O)C(C)C)CC1C(N)=O)C1CCCCC1
InChIInChI=1S/C20H35N5O4.C4H10.C2H6/c1-12(2)19(28)23-14-9-15(18(21)27)25(11-14)20(29)17(24-16(26)10-22-3)13-7-5-4-6-8-13;1-3-4-2;1-2/h12-15,17,22H,4-11H2,1-3H3,(H2,21,27)(H,23,28)(H,24,26);3-4H2,1-2H3;1-2H3
InChIKeySQORETNNCOTIBJ-UHFFFAOYSA-N
XLogP2.33
TPSA133.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.73
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-4-(2-methylpropanoylamino)pyrrolidine-2-carboxamide
CID 170953913
1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxamide
CID 91430942
(2S)-2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetamide
CID 90253995
4-N-[1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-5-(1-phenylethylcarbamoyl)pyrrolidin-3-yl]-1-N-[1-formyl-5-(1-phenylethylcarbamoyl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide
CID 143889069
1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;hydrobromide
CID 175808020
1-N,4-N-bis[1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-5-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]benzene-1,4-dicarboxamide
CID 143936238
4-acetamido-1-[2-cyclohexyl-2-(methylamino)acetyl]pyrrolidine-2-carboxamide;tert-butyl N-methyl-N-(2-oxoethyl)carbamate;1,2,3,4-tetrahydronaphthalene
CID 178176305
(2S)-N-[(1S)-2-[(2R,4S)-4-acetamido-2-methylpyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide
CID 70943022
1-N-[(3S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-(9H-fluoren-9-ylcarbamoyl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-(9H-fluoren-9-ylcarbamoyl)pyrrolidin-3-yl]cyclohexane-1,4-dicarboxamide
CID 88942634
2-[[2-[2-[[1-[[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-(2-methylpropoxycarbonylamino)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamoyl]-3,6-difluorobenzoic acid
CID 21016138
2-methylpropyl N-[2-[2-[[1-[[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]carbamoyl]-4-(phenylcarbamoylamino)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate
CID 21016825
3-cyclohexyl-3-[[2-(methylamino)acetyl]amino]propanamide;hydrochloride
CID 119818633

Frequently Asked Questions

What is the IUPAC name of butane;1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-4-(2-methylpropanoylamino)pyrrolidine-2-carboxamide;ethane?
The IUPAC name of butane;1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-4-(2-methylpropanoylamino)pyrrolidine-2-carboxamide;ethane (CID 170953912) is butane;1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-4-(2-methylpropanoylamino)pyrrolidine-2-carboxamide;ethane.
What is the SMILES notation for butane;1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-4-(2-methylpropanoylamino)pyrrolidine-2-carboxamide;ethane?
The canonical SMILES for butane;1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-4-(2-methylpropanoylamino)pyrrolidine-2-carboxamide;ethane is CC.CCCC.CNCC(=O)NC(C(=O)N1CC(NC(=O)C(C)C)CC1C(N)=O)C1CCCCC1.
What is the InChIKey of butane;1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-4-(2-methylpropanoylamino)pyrrolidine-2-carboxamide;ethane?
The InChIKey is SQORETNNCOTIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O4.C4H10.C2H6/c1-12(2)19(28)23-14-9-15(18(21)27)25(11-14)20(29)17(24-16(26)10-22-3)13-7-5-4-6-8-13;1-3-4-2;1-2/h12-15,17,22H,4-11H2,1-3H3,(H2,21,27)(H,23,28)(H,24,26);3-4H2,1-2H3;1-2H3.
What are the key properties of butane;1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-4-(2-methylpropanoylamino)pyrrolidine-2-carboxamide;ethane?
butane;1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-4-(2-methylpropanoylamino)pyrrolidine-2-carboxamide;ethane has a molecular weight of 497.73 g/mol, XLogP of 2.33, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-[2-cyclohexyl-2-[[2-(methylamino)acetyl]amino]acetyl]-4-(2-methylpropanoylamino)pyrrolidine-2-carboxamide;ethane is sourced from PubChem (CID 170953912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).