N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide

C15H23N3O2 — CID 62668929

IUPACN-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide
SMILESCC(CN)C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-10(9-16)13(19)17-11-5-7-12(8-6-11)18-14(20)15(2,3)4/h5-8,10H,9,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyXCHDMWGFNHFGMD-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.20
Rot. Bonds4

About N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide

N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide (PubChem CID 62668929) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide
PubChem CID62668929
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide
SMILESCC(CN)C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-10(9-16)13(19)17-11-5-7-12(8-6-11)18-14(20)15(2,3)4/h5-8,10H,9,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyXCHDMWGFNHFGMD-UHFFFAOYSA-N
XLogP2.20
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-amino-2-methylpropanoyl)amino]benzoic acid
CID 62669470
(2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
CID 79011946
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide
CID 62671203
N-[4-(2-bromobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 62855176
3-amino-N-(4-ethylsulfonylphenyl)-2-methylpropanamide
CID 62669246
N-[4-(3-aminobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 61254421
N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide
CID 82259731
2,2-dimethyl-N-(4-propan-2-ylphenyl)propanamide
CID 3356940
N-[4-(2-amino-4-methylpentyl)phenyl]-2,2-dimethylpropanamide
CID 82259967
3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 62668887
2,2-dimethyl-N-[4-[(2S)-2-methylbutanoyl]phenyl]propanamide
CID 97135002
3-amino-2-methyl-N-(4-pentylphenyl)propanamide
CID 62670377

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide (CID 62668929) is N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide is CC(CN)C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is XCHDMWGFNHFGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(9-16)13(19)17-11-5-7-12(8-6-11)18-14(20)15(2,3)4/h5-8,10H,9,16H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide?
N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 62668929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).