2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide

C15H23N3O2 — CID 65225572

IUPAC2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
SMILESCCC(CN)C(=O)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-4-11(9-16)15(20)18-13-7-5-12(6-8-13)17-14(19)10(2)3/h5-8,10-11H,4,9,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyJYUREHTWJLGIEZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.20
Rot. Bonds6

About 2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide

2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide (PubChem CID 65225572) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
PubChem CID65225572
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
SMILESCCC(CN)C(=O)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-4-11(9-16)15(20)18-13-7-5-12(6-8-13)17-14(19)10(2)3/h5-8,10-11H,4,9,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyJYUREHTWJLGIEZ-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(4-iodophenyl)butanamide
CID 65225745
2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide
CID 65225076
2-(aminomethyl)-N-(4-phenylphenyl)butanamide
CID 62254928
2-ethyl-N-(4-iodophenyl)butanamide
CID 835344
2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide
CID 106911773
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide
CID 43683753
2-(aminomethyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 65228872
2-(aminomethyl)-N-(3,4-dicyanophenyl)butanamide
CID 114001896
2-(aminomethyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide
CID 65228931
N-(3-acetylphenyl)-2-(aminomethyl)butanamide
CID 65229339
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide (CID 65225572) is 2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide is CCC(CN)C(=O)Nc1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide?
The InChIKey is JYUREHTWJLGIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-11(9-16)15(20)18-13-7-5-12(6-8-13)17-14(19)10(2)3/h5-8,10-11H,4,9,16H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide?
2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide has a molecular weight of 277.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide is sourced from PubChem (CID 65225572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).