2-(aminomethyl)-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentanamide

C17H28N2O — CID 107472909

IUPAC2-(aminomethyl)-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentanamide
SMILESCCc1ccc(CNC(=O)C(CN)CC(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-5-13-6-8-14(9-7-13)12-19-16(20)15(11-18)10-17(2,3)4/h6-9,15H,5,10-12,18H2,1-4H3,(H,19,20)
InChIKeyUCRBOYMZMWRIGE-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.88
Rot. Bonds6

About 2-(aminomethyl)-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentanamide

2-(aminomethyl)-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentanamide (PubChem CID 107472909) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentanamide
PubChem CID107472909
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(aminomethyl)-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentanamide
SMILESCCc1ccc(CNC(=O)C(CN)CC(C)(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-5-13-6-8-14(9-7-13)12-19-16(20)15(11-18)10-17(2,3)4/h6-9,15H,5,10-12,18H2,1-4H3,(H,19,20)
InChIKeyUCRBOYMZMWRIGE-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4,4-dimethyl-N-[(4-nitrophenyl)methyl]pentanamide
CID 107471435
2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 114181967
3-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]benzoic acid
CID 107471779
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide
CID 107470962
2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]butanamide
CID 65229471
2-(aminomethyl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 115186990
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
2-(aminomethyl)-N-(2,6-diethylphenyl)-4,4-dimethylpentanamide
CID 107470936
2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4-dimethylpentanamide
CID 107472643
N-[(4-ethylphenyl)methyl]-2-sulfanylpropanamide
CID 107037283
N-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide
CID 82984622
2-(aminomethyl)-4,4-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 107472817

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentanamide (CID 107472909) is 2-(aminomethyl)-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentanamide is CCc1ccc(CNC(=O)C(CN)CC(C)(C)C)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentanamide?
The InChIKey is UCRBOYMZMWRIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-13-6-8-14(9-7-13)12-19-16(20)15(11-18)10-17(2,3)4/h6-9,15H,5,10-12,18H2,1-4H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentanamide?
2-(aminomethyl)-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentanamide has a molecular weight of 276.42 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 107472909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).