ethane;3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide

C18H32N4O2 — CID 163289881

IUPACethane;3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide
SMILESCC.CNCc1ccc(NC(=O)CNC(=O)C(NC)C(C)C)cc1
InChIInChI=1S/C16H26N4O2.C2H6/c1-11(2)15(18-4)16(22)19-10-14(21)20-13-7-5-12(6-8-13)9-17-3;1-2/h5-8,11,15,17-18H,9-10H2,1-4H3,(H,19,22)(H,20,21);1-2H3
InChIKeyRLUXBGKKHUTUOO-UHFFFAOYSA-N
MW336.48 g/mol
LogP1.73
Rot. Bonds8

About ethane;3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide

ethane;3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide (PubChem CID 163289881) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is ethane;3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide.

Molecular Properties

Compound Nameethane;3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide
PubChem CID163289881
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Nameethane;3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide
SMILESCC.CNCc1ccc(NC(=O)CNC(=O)C(NC)C(C)C)cc1
InChIInChI=1S/C16H26N4O2.C2H6/c1-11(2)15(18-4)16(22)19-10-14(21)20-13-7-5-12(6-8-13)9-17-3;1-2/h5-8,11,15,17-18H,9-10H2,1-4H3,(H,19,22)(H,20,21);1-2H3
InChIKeyRLUXBGKKHUTUOO-UHFFFAOYSA-N
XLogP1.73
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide
CID 162518867
N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
CID 142383780
[4-[[2-[[3-methyl-2-(methylamino)butanoyl]amino]acetyl]amino]phenyl]methyl N-methylmethanimidate
CID 166778026
butan-1-amine;ethane;2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]-3-phenylpropanamide
CID 169229746
N-benzyl-3-methyl-2-(methylamino)butanamide
CID 21365821
CID 177226802
CID 177226802
[4-[[2-[[3-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoyl]amino]acetyl]amino]phenyl]methyl formate
CID 171804617
(2S)-2-amino-3-methyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 82962341
N-[4-(methylaminomethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 106910048
ethane;[4-[[2-[[3-methyl-2-(propan-2-ylamino)butanoyl]amino]acetyl]amino]phenyl]methyl acetate;propylurea
CID 171804817
6-(2,5-dioxopyrrol-1-yl)-N-[2-[[(2S)-1-[[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]hexanamide
CID 167299308
2-cyclopropyl-N-[4-(methylaminomethyl)phenyl]propanamide
CID 106909989

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide?
The IUPAC name of ethane;3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide (CID 163289881) is ethane;3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide.
What is the SMILES notation for ethane;3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide?
The canonical SMILES for ethane;3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide is CC.CNCc1ccc(NC(=O)CNC(=O)C(NC)C(C)C)cc1.
What is the InChIKey of ethane;3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide?
The InChIKey is RLUXBGKKHUTUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2.C2H6/c1-11(2)15(18-4)16(22)19-10-14(21)20-13-7-5-12(6-8-13)9-17-3;1-2/h5-8,11,15,17-18H,9-10H2,1-4H3,(H,19,22)(H,20,21);1-2H3.
What are the key properties of ethane;3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide?
ethane;3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide has a molecular weight of 336.48 g/mol, XLogP of 1.73, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide is sourced from PubChem (CID 163289881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).