N-(2-amino-2-oxoethyl)-N'-(4-phenylbutan-2-yl)butanediamide

C16H23N3O3 — CID 51362452

IUPACN-(2-amino-2-oxoethyl)-N'-(4-phenylbutan-2-yl)butanediamide
SMILESCC(CCc1ccccc1)NC(=O)CCC(=O)NCC(N)=O
InChIInChI=1S/C16H23N3O3/c1-12(7-8-13-5-3-2-4-6-13)19-16(22)10-9-15(21)18-11-14(17)20/h2-6,12H,7-11H2,1H3,(H2,17,20)(H,18,21)(H,19,22)
InChIKeySZBGGYVCXOZNID-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.51
Rot. Bonds9

About N-(2-amino-2-oxoethyl)-N'-(4-phenylbutan-2-yl)butanediamide

N-(2-amino-2-oxoethyl)-N'-(4-phenylbutan-2-yl)butanediamide (PubChem CID 51362452) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N'-(4-phenylbutan-2-yl)butanediamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N'-(4-phenylbutan-2-yl)butanediamide
PubChem CID51362452
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-(2-amino-2-oxoethyl)-N'-(4-phenylbutan-2-yl)butanediamide
SMILESCC(CCc1ccccc1)NC(=O)CCC(=O)NCC(N)=O
InChIInChI=1S/C16H23N3O3/c1-12(7-8-13-5-3-2-4-6-13)19-16(22)10-9-15(21)18-11-14(17)20/h2-6,12H,7-11H2,1H3,(H2,17,20)(H,18,21)(H,19,22)
InChIKeySZBGGYVCXOZNID-UHFFFAOYSA-N
XLogP0.51
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
4-oxo-4-[[(2S)-4-phenylbutan-2-yl]amino]butanoate
CID 2223864
N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide
CID 25172177
3-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 4172358
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
2-[(2-phenoxyacetyl)amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2128560
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069
3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 95901327
N-[(2S)-4-phenylbutan-2-yl]decanamide
CID 98131356

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N'-(4-phenylbutan-2-yl)butanediamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N'-(4-phenylbutan-2-yl)butanediamide (CID 51362452) is N-(2-amino-2-oxoethyl)-N'-(4-phenylbutan-2-yl)butanediamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N'-(4-phenylbutan-2-yl)butanediamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N'-(4-phenylbutan-2-yl)butanediamide is CC(CCc1ccccc1)NC(=O)CCC(=O)NCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N'-(4-phenylbutan-2-yl)butanediamide?
The InChIKey is SZBGGYVCXOZNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(7-8-13-5-3-2-4-6-13)19-16(22)10-9-15(21)18-11-14(17)20/h2-6,12H,7-11H2,1H3,(H2,17,20)(H,18,21)(H,19,22).
What are the key properties of N-(2-amino-2-oxoethyl)-N'-(4-phenylbutan-2-yl)butanediamide?
N-(2-amino-2-oxoethyl)-N'-(4-phenylbutan-2-yl)butanediamide has a molecular weight of 305.38 g/mol, XLogP of 0.51, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N'-(4-phenylbutan-2-yl)butanediamide is sourced from PubChem (CID 51362452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).