2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide

C15H23N3O2 — CID 54818036

IUPAC2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide
SMILESCC(C)NCC(=O)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-10(2)15(20)18-13-7-5-12(6-8-13)17-14(19)9-16-11(3)4/h5-8,10-11,16H,9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyHHCDAQGGPMTQLT-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.22
Rot. Bonds6

About 2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide

2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide (PubChem CID 54818036) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide
PubChem CID54818036
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide
SMILESCC(C)NCC(=O)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-10(2)15(20)18-13-7-5-12(6-8-13)17-14(19)9-16-11(3)4/h5-8,10-11,16H,9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyHHCDAQGGPMTQLT-UHFFFAOYSA-N
XLogP2.22
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide
CID 54830466
N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 61254791
3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 26907229
2-(propan-2-ylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60843073
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040
2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 60671103
N-[3,5-bis(2-methylpropanoyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 177095457
N-[3-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809331
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814594
2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
N-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817609
N-[4-(2-ethoxyethoxy)phenyl]-2-(propan-2-ylamino)acetamide
CID 54817765

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide (CID 54818036) is 2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide is CC(C)NCC(=O)Nc1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide?
The InChIKey is HHCDAQGGPMTQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)15(20)18-13-7-5-12(6-8-13)17-14(19)9-16-11(3)4/h5-8,10-11,16H,9H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide?
2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide has a molecular weight of 277.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54818036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).