(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide

C19H30N4O3 — CID 95590588

IUPAC(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide
SMILESCC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C19H30N4O3/c1-13(2)16(21-18(26)20-14-10-8-7-9-11-14)17(25)23(6)12-15(24)22-19(3,4)5/h7-11,13,16H,12H2,1-6H3,(H,22,24)(H2,20,21,26)/t16-/m1/s1
InChIKeyGRXJVVDUUNWZHK-MRXNPFEDSA-N
MW362.47 g/mol
LogP2.21
Rot. Bonds6

About (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide

(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide (PubChem CID 95590588) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide.

Molecular Properties

Compound Name(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide
PubChem CID95590588
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide
SMILESCC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C19H30N4O3/c1-13(2)16(21-18(26)20-14-10-8-7-9-11-14)17(25)23(6)12-15(24)22-19(3,4)5/h7-11,13,16H,12H2,1-6H3,(H,22,24)(H2,20,21,26)/t16-/m1/s1
InChIKeyGRXJVVDUUNWZHK-MRXNPFEDSA-N
XLogP2.21
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzylcarbamoylamino)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 86922360
N-(2-anilino-2-oxoethyl)-2-(benzylcarbamoylamino)-N,3-dimethylbutanamide
CID 55639339
N,3-dimethyl-2-(phenylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 55330741
N-[(4-cyanophenyl)methyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide
CID 55586552
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 8768055
2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 18112777
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616948
N-[4-[[[2-(tert-butylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]propanamide
CID 86994927
N-tert-butyl-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide
CID 51226996
N-[2-(2-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
CID 55827200
[2-[4-(dimethylamino)anilino]-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617215
3-methyl-N-[4-(2-methylpropanoylamino)phenyl]-2-(phenylcarbamoylamino)butanamide
CID 78773473

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide?
The IUPAC name of (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide (CID 95590588) is (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide.
What is the SMILES notation for (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide?
The canonical SMILES for (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide is CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide?
The InChIKey is GRXJVVDUUNWZHK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-13(2)16(21-18(26)20-14-10-8-7-9-11-14)17(25)23(6)12-15(24)22-19(3,4)5/h7-11,13,16H,12H2,1-6H3,(H,22,24)(H2,20,21,26)/t16-/m1/s1.
What are the key properties of (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide?
(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide has a molecular weight of 362.47 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(tert-butylamino)-2-oxoethyl]-N,3-dimethyl-2-(phenylcarbamoylamino)butanamide is sourced from PubChem (CID 95590588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).