(2S)-2-[[formyl-[2-[methyl(propyl)amino]phenyl]carbamoyl]amino]-N-(2-hydroxyethyl)-3,3-dimethylbutanamide

C20H32N4O4 — CID 143641912

IUPAC(2S)-2-[[formyl-[2-[methyl(propyl)amino]phenyl]carbamoyl]amino]-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
SMILESCCCN(C)c1ccccc1N(C=O)C(=O)N[C@H](C(=O)NCCO)C(C)(C)C
InChIInChI=1S/C20H32N4O4/c1-6-12-23(5)15-9-7-8-10-16(15)24(14-26)19(28)22-17(20(2,3)4)18(27)21-11-13-25/h7-10,14,17,25H,6,11-13H2,1-5H3,(H,21,27)(H,22,28)/t17-/m1/s1
InChIKeyXXQHHBTWQMCJQR-QGZVFWFLSA-N
MW392.50 g/mol
LogP1.73
Rot. Bonds9

About (2S)-2-[[formyl-[2-[methyl(propyl)amino]phenyl]carbamoyl]amino]-N-(2-hydroxyethyl)-3,3-dimethylbutanamide

(2S)-2-[[formyl-[2-[methyl(propyl)amino]phenyl]carbamoyl]amino]-N-(2-hydroxyethyl)-3,3-dimethylbutanamide (PubChem CID 143641912) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is (2S)-2-[[formyl-[2-[methyl(propyl)amino]phenyl]carbamoyl]amino]-N-(2-hydroxyethyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-[[formyl-[2-[methyl(propyl)amino]phenyl]carbamoyl]amino]-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
PubChem CID143641912
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC Name(2S)-2-[[formyl-[2-[methyl(propyl)amino]phenyl]carbamoyl]amino]-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
SMILESCCCN(C)c1ccccc1N(C=O)C(=O)N[C@H](C(=O)NCCO)C(C)(C)C
InChIInChI=1S/C20H32N4O4/c1-6-12-23(5)15-9-7-8-10-16(15)24(14-26)19(28)22-17(20(2,3)4)18(27)21-11-13-25/h7-10,14,17,25H,6,11-13H2,1-5H3,(H,21,27)(H,22,28)/t17-/m1/s1
InChIKeyXXQHHBTWQMCJQR-QGZVFWFLSA-N
XLogP1.73
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2S)-2-[[formyl-[2-[methyl(propyl)amino]phenyl]carbamoyl]amino]-N-(2-hydroxyethyl)-3,3-dimethylbutanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[formyl-[2-[methyl(propyl)amino]phenyl]carbamoyl]amino]-N-(2-hydroxyethyl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-[[formyl-[2-[methyl(propyl)amino]phenyl]carbamoyl]amino]-N-(2-hydroxyethyl)-3,3-dimethylbutanamide (CID 143641912) is (2S)-2-[[formyl-[2-[methyl(propyl)amino]phenyl]carbamoyl]amino]-N-(2-hydroxyethyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-[[formyl-[2-[methyl(propyl)amino]phenyl]carbamoyl]amino]-N-(2-hydroxyethyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-[[formyl-[2-[methyl(propyl)amino]phenyl]carbamoyl]amino]-N-(2-hydroxyethyl)-3,3-dimethylbutanamide is CCCN(C)c1ccccc1N(C=O)C(=O)N[C@H](C(=O)NCCO)C(C)(C)C.
What is the InChIKey of (2S)-2-[[formyl-[2-[methyl(propyl)amino]phenyl]carbamoyl]amino]-N-(2-hydroxyethyl)-3,3-dimethylbutanamide?
The InChIKey is XXQHHBTWQMCJQR-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-6-12-23(5)15-9-7-8-10-16(15)24(14-26)19(28)22-17(20(2,3)4)18(27)21-11-13-25/h7-10,14,17,25H,6,11-13H2,1-5H3,(H,21,27)(H,22,28)/t17-/m1/s1.
What are the key properties of (2S)-2-[[formyl-[2-[methyl(propyl)amino]phenyl]carbamoyl]amino]-N-(2-hydroxyethyl)-3,3-dimethylbutanamide?
(2S)-2-[[formyl-[2-[methyl(propyl)amino]phenyl]carbamoyl]amino]-N-(2-hydroxyethyl)-3,3-dimethylbutanamide has a molecular weight of 392.50 g/mol, XLogP of 1.73, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[formyl-[2-[methyl(propyl)amino]phenyl]carbamoyl]amino]-N-(2-hydroxyethyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 143641912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).