N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide

C16H27N3O — CID 60641040

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
SMILESCCN(c1ccc(NC(=O)CNC(C)C)cc1)C(C)C
InChIInChI=1S/C16H27N3O/c1-6-19(13(4)5)15-9-7-14(8-10-15)18-16(20)11-17-12(2)3/h7-10,12-13,17H,6,11H2,1-5H3,(H,18,20)
InChIKeyNIAIOPNKLCLZLX-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.86
Rot. Bonds7

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide (PubChem CID 60641040) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
PubChem CID60641040
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
SMILESCCN(c1ccc(NC(=O)CNC(C)C)cc1)C(C)C
InChIInChI=1S/C16H27N3O/c1-6-19(13(4)5)15-9-7-14(8-10-15)18-16(20)11-17-12(2)3/h7-10,12-13,17H,6,11H2,1-5H3,(H,18,20)
InChIKeyNIAIOPNKLCLZLX-UHFFFAOYSA-N
XLogP2.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide 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-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate
CID 51088000
5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid
CID 43399748
2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2104267
2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide
CID 54818036
4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide
CID 103155573
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79202648
3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide
CID 62727901
2-(3,4-dichlorophenyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 7892153
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78866546
1-[4-[ethyl(propan-2-yl)amino]phenyl]-3-propan-2-ylthiourea
CID 8616060
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(3-fluorophenyl)acetamide
CID 2567084

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide (CID 60641040) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide is CCN(c1ccc(NC(=O)CNC(C)C)cc1)C(C)C.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is NIAIOPNKLCLZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-19(13(4)5)15-9-7-14(8-10-15)18-16(20)11-17-12(2)3/h7-10,12-13,17H,6,11H2,1-5H3,(H,18,20).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 277.41 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 60641040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).