2,2-dimethyl-N-[4-oxo-4-[4-(propan-2-ylcarbamoylamino)anilino]butyl]propanamide

C19H30N4O3 — CID 38198734

IUPAC2,2-dimethyl-N-[4-oxo-4-[4-(propan-2-ylcarbamoylamino)anilino]butyl]propanamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)CCCNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H30N4O3/c1-13(2)21-18(26)23-15-10-8-14(9-11-15)22-16(24)7-6-12-20-17(25)19(3,4)5/h8-11,13H,6-7,12H2,1-5H3,(H,20,25)(H,22,24)(H2,21,23,26)
InChIKeyPAQDRIKZEBISDE-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.10
Rot. Bonds7

About 2,2-dimethyl-N-[4-oxo-4-[4-(propan-2-ylcarbamoylamino)anilino]butyl]propanamide

2,2-dimethyl-N-[4-oxo-4-[4-(propan-2-ylcarbamoylamino)anilino]butyl]propanamide (PubChem CID 38198734) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-oxo-4-[4-(propan-2-ylcarbamoylamino)anilino]butyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-oxo-4-[4-(propan-2-ylcarbamoylamino)anilino]butyl]propanamide
PubChem CID38198734
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name2,2-dimethyl-N-[4-oxo-4-[4-(propan-2-ylcarbamoylamino)anilino]butyl]propanamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)CCCNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H30N4O3/c1-13(2)21-18(26)23-15-10-8-14(9-11-15)22-16(24)7-6-12-20-17(25)19(3,4)5/h8-11,13H,6-7,12H2,1-5H3,(H,20,25)(H,22,24)(H2,21,23,26)
InChIKeyPAQDRIKZEBISDE-UHFFFAOYSA-N
XLogP3.10
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-N-[4-oxo-4-[4-(propan-2-ylcarbamoylamino)anilino]butyl]propanamide 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

N-[4-(4-chloroanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 34753669
3-[4-[4-(2,2-dimethylpropanoylamino)butanoylamino]phenyl]-2-methylpropanoic acid
CID 120541449
N-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 36567839
3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38166746
3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119279237
N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850102
N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 32765837
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 51339826
2,2-dimethyl-N-[4-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-4-oxobutyl]propanamide
CID 32757711
2,2-dimethyl-N-[4-(2-methylanilino)-4-oxobutyl]propanamide
CID 32688592
N-(4-chlorophenyl)-4-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]butanamide;hydroiodide
CID 111124604
2-(methylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119704527

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-oxo-4-[4-(propan-2-ylcarbamoylamino)anilino]butyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-oxo-4-[4-(propan-2-ylcarbamoylamino)anilino]butyl]propanamide (CID 38198734) is 2,2-dimethyl-N-[4-oxo-4-[4-(propan-2-ylcarbamoylamino)anilino]butyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-oxo-4-[4-(propan-2-ylcarbamoylamino)anilino]butyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-oxo-4-[4-(propan-2-ylcarbamoylamino)anilino]butyl]propanamide is CC(C)NC(=O)Nc1ccc(NC(=O)CCCNC(=O)C(C)(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-oxo-4-[4-(propan-2-ylcarbamoylamino)anilino]butyl]propanamide?
The InChIKey is PAQDRIKZEBISDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-13(2)21-18(26)23-15-10-8-14(9-11-15)22-16(24)7-6-12-20-17(25)19(3,4)5/h8-11,13H,6-7,12H2,1-5H3,(H,20,25)(H,22,24)(H2,21,23,26).
What are the key properties of 2,2-dimethyl-N-[4-oxo-4-[4-(propan-2-ylcarbamoylamino)anilino]butyl]propanamide?
2,2-dimethyl-N-[4-oxo-4-[4-(propan-2-ylcarbamoylamino)anilino]butyl]propanamide has a molecular weight of 362.47 g/mol, XLogP of 3.10, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-oxo-4-[4-(propan-2-ylcarbamoylamino)anilino]butyl]propanamide is sourced from PubChem (CID 38198734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).