2-(aminomethyl)-N-(4-phenylphenyl)butanamide

C17H20N2O — CID 62254928

IUPAC2-(aminomethyl)-N-(4-phenylphenyl)butanamide
SMILESCCC(CN)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-2-13(12-18)17(20)19-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13H,2,12,18H2,1H3,(H,19,20)
InChIKeyJBOATVNBHOCCAN-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.28
Rot. Bonds5

About 2-(aminomethyl)-N-(4-phenylphenyl)butanamide

2-(aminomethyl)-N-(4-phenylphenyl)butanamide (PubChem CID 62254928) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-phenylphenyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-phenylphenyl)butanamide
PubChem CID62254928
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(aminomethyl)-N-(4-phenylphenyl)butanamide
SMILESCCC(CN)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-2-13(12-18)17(20)19-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13H,2,12,18H2,1H3,(H,19,20)
InChIKeyJBOATVNBHOCCAN-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 65225572
2-(aminomethyl)-N-(4-iodophenyl)butanamide
CID 65225745
2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide
CID 65225076
2-(aminomethyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 65228872
2-ethyl-N-(4-phenylphenyl)non-7-enamide
CID 150409330
5-amino-2-methyl-N-(4-phenylphenyl)pentanamide
CID 104683998
N-(3-acetylphenyl)-2-(aminomethyl)butanamide
CID 65229339
2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide
CID 106911773
2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide
CID 4785458
2-(carboxymethylamino)acetic acid;2-ethyl-N-phenylbutanamide
CID 67945076
2-amino-N-(4-phenylphenyl)acetamide
CID 43218250
2-(aminomethyl)-N-(3,4-dicyanophenyl)butanamide
CID 114001896

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-phenylphenyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(4-phenylphenyl)butanamide (CID 62254928) is 2-(aminomethyl)-N-(4-phenylphenyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-phenylphenyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-phenylphenyl)butanamide is CCC(CN)C(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(aminomethyl)-N-(4-phenylphenyl)butanamide?
The InChIKey is JBOATVNBHOCCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-13(12-18)17(20)19-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13H,2,12,18H2,1H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-N-(4-phenylphenyl)butanamide?
2-(aminomethyl)-N-(4-phenylphenyl)butanamide has a molecular weight of 268.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-phenylphenyl)butanamide is sourced from PubChem (CID 62254928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).