3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide

C15H23N3O2 — CID 62668740

IUPAC3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)C(C)CN)cc1
InChIInChI=1S/C15H23N3O2/c1-10(2)14(19)18-13-6-4-12(5-7-13)9-17-15(20)11(3)8-16/h4-7,10-11H,8-9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyYFQFGDNCNNKACL-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.49
Rot. Bonds6

About 3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide

3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide (PubChem CID 62668740) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide
PubChem CID62668740
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)C(C)CN)cc1
InChIInChI=1S/C15H23N3O2/c1-10(2)14(19)18-13-6-4-12(5-7-13)9-17-15(20)11(3)8-16/h4-7,10-11H,8-9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyYFQFGDNCNNKACL-UHFFFAOYSA-N
XLogP1.49
TPSA84.22 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 ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277416
N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277407
2-amino-3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119277422
2-methyl-3-[[4-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropanoic acid
CID 114897148
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide
CID 62671203
N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide
CID 42936966
3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119701237
4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 36557221
N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 18151252
N-[[4-(carbamoylamino)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119701163
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011
N-[4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]-2-methylpropanamide;hydroiodide
CID 110914567

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide?
The IUPAC name of 3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide (CID 62668740) is 3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide?
The canonical SMILES for 3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide is CC(C)C(=O)Nc1ccc(CNC(=O)C(C)CN)cc1.
What is the InChIKey of 3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide?
The InChIKey is YFQFGDNCNNKACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)14(19)18-13-6-4-12(5-7-13)9-17-15(20)11(3)8-16/h4-7,10-11H,8-9,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide?
3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide is sourced from PubChem (CID 62668740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).