N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclobut-2-en-1-yl]-2-[[(1R)-1-cyclopropylethyl]-methylamino]acetamide;propane

C23H34ClN3O3 — CID 142513620

IUPACN-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclobut-2-en-1-yl]-2-[[(1R)-1-cyclopropylethyl]-methylamino]acetamide;propane
SMILESCCC.C[C@H](C1CC1)N(C)CC(=O)NC1C=C(NC(=O)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H26ClN3O3.C3H8/c1-13(14-3-4-14)24(2)11-19(25)22-16-9-17(10-16)23-20(26)12-27-18-7-5-15(21)6-8-18;1-3-2/h5-9,13-14,16H,3-4,10-12H2,1-2H3,(H,22,25)(H,23,26);3H2,1-2H3/t13-,16?;/m1./s1
InChIKeyFMTZRWOHGPABPR-FMVIYNIGSA-N
MW436.00 g/mol
LogP3.75
Rot. Bonds9

About N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclobut-2-en-1-yl]-2-[[(1R)-1-cyclopropylethyl]-methylamino]acetamide;propane

N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclobut-2-en-1-yl]-2-[[(1R)-1-cyclopropylethyl]-methylamino]acetamide;propane (PubChem CID 142513620) has the molecular formula C23H34ClN3O3 and a molecular weight of 436.00 g/mol. Its IUPAC name is N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclobut-2-en-1-yl]-2-[[(1R)-1-cyclopropylethyl]-methylamino]acetamide;propane.

Molecular Properties

Compound NameN-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclobut-2-en-1-yl]-2-[[(1R)-1-cyclopropylethyl]-methylamino]acetamide;propane
PubChem CID142513620
Molecular FormulaC23H34ClN3O3
Molecular Weight436.00 g/mol
Exact Mass435.23
IUPAC NameN-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclobut-2-en-1-yl]-2-[[(1R)-1-cyclopropylethyl]-methylamino]acetamide;propane
SMILESCCC.C[C@H](C1CC1)N(C)CC(=O)NC1C=C(NC(=O)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H26ClN3O3.C3H8/c1-13(14-3-4-14)24(2)11-19(25)22-16-9-17(10-16)23-20(26)12-27-18-7-5-15(21)6-8-18;1-3-2/h5-9,13-14,16H,3-4,10-12H2,1-2H3,(H,22,25)(H,23,26);3H2,1-2H3/t13-,16?;/m1./s1
InChIKeyFMTZRWOHGPABPR-FMVIYNIGSA-N
XLogP3.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.00
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminocyclobuten-1-yl)-2-(4-chlorophenoxy)acetamide
CID 142513632
N-[(2R,4S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 137400264
2-(4-chlorophenoxy)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]acetamide
CID 29339507
2-[[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053234
N-[(2R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-(dimethylamino)acetamide
CID 142513696
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32542579
N-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
CID 43568654
2-(4-chlorophenoxy)-N-[4-(cyclopentylamino)phenyl]acetamide
CID 112980612

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclobut-2-en-1-yl]-2-[[(1R)-1-cyclopropylethyl]-methylamino]acetamide;propane?
The IUPAC name of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclobut-2-en-1-yl]-2-[[(1R)-1-cyclopropylethyl]-methylamino]acetamide;propane (CID 142513620) is N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclobut-2-en-1-yl]-2-[[(1R)-1-cyclopropylethyl]-methylamino]acetamide;propane.
What is the SMILES notation for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclobut-2-en-1-yl]-2-[[(1R)-1-cyclopropylethyl]-methylamino]acetamide;propane?
The canonical SMILES for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclobut-2-en-1-yl]-2-[[(1R)-1-cyclopropylethyl]-methylamino]acetamide;propane is CCC.C[C@H](C1CC1)N(C)CC(=O)NC1C=C(NC(=O)COc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclobut-2-en-1-yl]-2-[[(1R)-1-cyclopropylethyl]-methylamino]acetamide;propane?
The InChIKey is FMTZRWOHGPABPR-FMVIYNIGSA-N. The full InChI is InChI=1S/C20H26ClN3O3.C3H8/c1-13(14-3-4-14)24(2)11-19(25)22-16-9-17(10-16)23-20(26)12-27-18-7-5-15(21)6-8-18;1-3-2/h5-9,13-14,16H,3-4,10-12H2,1-2H3,(H,22,25)(H,23,26);3H2,1-2H3/t13-,16?;/m1./s1.
What are the key properties of N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclobut-2-en-1-yl]-2-[[(1R)-1-cyclopropylethyl]-methylamino]acetamide;propane?
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclobut-2-en-1-yl]-2-[[(1R)-1-cyclopropylethyl]-methylamino]acetamide;propane has a molecular weight of 436.00 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclobut-2-en-1-yl]-2-[[(1R)-1-cyclopropylethyl]-methylamino]acetamide;propane is sourced from PubChem (CID 142513620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).