2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide

C15H23N3O2 — CID 65229652

IUPAC2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide
SMILESCCC(=O)Nc1cccc(NC(=O)C(CC)CN)c1C
InChIInChI=1S/C15H23N3O2/c1-4-11(9-16)15(20)18-13-8-6-7-12(10(13)3)17-14(19)5-2/h6-8,11H,4-5,9,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyVXYYNNFWYNSIKJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.27
Rot. Bonds6

About 2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide

2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide (PubChem CID 65229652) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide
PubChem CID65229652
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide
SMILESCCC(=O)Nc1cccc(NC(=O)C(CC)CN)c1C
InChIInChI=1S/C15H23N3O2/c1-4-11(9-16)15(20)18-13-8-6-7-12(10(13)3)17-14(19)5-2/h6-8,11H,4-5,9,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyVXYYNNFWYNSIKJ-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(2-methyl-3-sulfamoylphenyl)butanamide
CID 65230250
3-(2-ethylbutanoylamino)-2-methylbenzoic acid
CID 6458658
N-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide
CID 103930833
2-(2-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide
CID 46760567
2-(aminomethyl)-N-[2-(difluoromethylsulfanyl)phenyl]butanamide
CID 65225730
2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 46760564
methyl N-[(2S)-4-methyl-1-[2-methyl-3-(propanoylamino)anilino]-1-oxopentan-2-yl]carbamate
CID 94797775
5-amino-N-(3-chloro-2-methylphenyl)-2-ethylpentanamide
CID 112517469
2-(aminomethyl)-N-(2,6-dibromophenyl)butanamide
CID 107599748
N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 38300041
2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide
CID 107470943
2-(2-butan-2-ylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 46760646

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide (CID 65229652) is 2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide is CCC(=O)Nc1cccc(NC(=O)C(CC)CN)c1C.
What is the InChIKey of 2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide?
The InChIKey is VXYYNNFWYNSIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-11(9-16)15(20)18-13-8-6-7-12(10(13)3)17-14(19)5-2/h6-8,11H,4-5,9,16H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide?
2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide has a molecular weight of 277.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide is sourced from PubChem (CID 65229652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).