N-(2-anilino-2-oxoethyl)-2-(benzylcarbamoylamino)-N,3-dimethylbutanamide

C22H28N4O3 — CID 55639339

IUPACN-(2-anilino-2-oxoethyl)-2-(benzylcarbamoylamino)-N,3-dimethylbutanamide
SMILESCC(C)C(NC(=O)NCc1ccccc1)C(=O)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C22H28N4O3/c1-16(2)20(25-22(29)23-14-17-10-6-4-7-11-17)21(28)26(3)15-19(27)24-18-12-8-5-9-13-18/h4-13,16,20H,14-15H2,1-3H3,(H,24,27)(H2,23,25,29)
InChIKeyULOJWHYNZNUVDR-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.61
Rot. Bonds8

About N-(2-anilino-2-oxoethyl)-2-(benzylcarbamoylamino)-N,3-dimethylbutanamide

N-(2-anilino-2-oxoethyl)-2-(benzylcarbamoylamino)-N,3-dimethylbutanamide (PubChem CID 55639339) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-2-(benzylcarbamoylamino)-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-2-(benzylcarbamoylamino)-N,3-dimethylbutanamide
PubChem CID55639339
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-(2-anilino-2-oxoethyl)-2-(benzylcarbamoylamino)-N,3-dimethylbutanamide
SMILESCC(C)C(NC(=O)NCc1ccccc1)C(=O)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C22H28N4O3/c1-16(2)20(25-22(29)23-14-17-10-6-4-7-11-17)21(28)26(3)15-19(27)24-18-12-8-5-9-13-18/h4-13,16,20H,14-15H2,1-3H3,(H,24,27)(H2,23,25,29)
InChIKeyULOJWHYNZNUVDR-UHFFFAOYSA-N
XLogP2.61
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 86922360
(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide
CID 95590588
2-(benzylcarbamoylamino)-N,3-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 78863297
methyl (2S)-2-(benzylcarbamoylamino)-3-methylbutanoate
CID 2002081
[2-(benzylamino)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617252
N-[(4-cyanophenyl)methyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide
CID 55586552
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(benzylcarbamoylamino)-3-methylbutanamide
CID 55548209
2-(benzylcarbamoylamino)-N-[4-(cyanomethyl)phenyl]-3-methylbutanamide
CID 55544264
2-(benzylcarbamoylamino)-N,3-dimethyl-N-pyrrolidin-3-ylbutanamide
CID 119552532
N-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide
CID 79203045
N,3-dimethyl-2-(phenylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 55330741
2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 18112777

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-2-(benzylcarbamoylamino)-N,3-dimethylbutanamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-2-(benzylcarbamoylamino)-N,3-dimethylbutanamide (CID 55639339) is N-(2-anilino-2-oxoethyl)-2-(benzylcarbamoylamino)-N,3-dimethylbutanamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-2-(benzylcarbamoylamino)-N,3-dimethylbutanamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-2-(benzylcarbamoylamino)-N,3-dimethylbutanamide is CC(C)C(NC(=O)NCc1ccccc1)C(=O)N(C)CC(=O)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-2-(benzylcarbamoylamino)-N,3-dimethylbutanamide?
The InChIKey is ULOJWHYNZNUVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-16(2)20(25-22(29)23-14-17-10-6-4-7-11-17)21(28)26(3)15-19(27)24-18-12-8-5-9-13-18/h4-13,16,20H,14-15H2,1-3H3,(H,24,27)(H2,23,25,29).
What are the key properties of N-(2-anilino-2-oxoethyl)-2-(benzylcarbamoylamino)-N,3-dimethylbutanamide?
N-(2-anilino-2-oxoethyl)-2-(benzylcarbamoylamino)-N,3-dimethylbutanamide has a molecular weight of 396.49 g/mol, XLogP of 2.61, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-2-(benzylcarbamoylamino)-N,3-dimethylbutanamide is sourced from PubChem (CID 55639339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).