N-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide

C17H28N2O — CID 119571116

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide
SMILESCCC(CC)(CN)NC(=O)CC(C)(C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-5-17(6-2,13-18)19-15(20)12-16(3,4)14-10-8-7-9-11-14/h7-11H,5-6,12-13,18H2,1-4H3,(H,19,20)
InChIKeyLBHXGZBDSLYBNK-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.99
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide

N-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide (PubChem CID 119571116) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide
PubChem CID119571116
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide
SMILESCCC(CC)(CN)NC(=O)CC(C)(C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-5-17(6-2,13-18)19-15(20)12-16(3,4)14-10-8-7-9-11-14/h7-11H,5-6,12-13,18H2,1-4H3,(H,19,20)
InChIKeyLBHXGZBDSLYBNK-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[(3-methyl-3-phenylbutanoyl)amino]propanoic acid
CID 119187916
N-[3-(aminomethyl)pentan-3-yl]-2-phenylsulfanylacetamide
CID 63887570
4-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]pentanoic acid
CID 119204659
N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)acetamide;hydrochloride
CID 119571282
N-[3-(aminomethyl)pentan-3-yl]-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 119568709
N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride
CID 119568655
N-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride
CID 119569536
N-(1-amino-2-phenylpropan-2-yl)-3,3,3-trifluoropropanamide
CID 105060471
N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide
CID 63765909
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119570058
N-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide
CID 119570911
N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride
CID 119571605

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide (CID 119571116) is N-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide is CCC(CC)(CN)NC(=O)CC(C)(C)c1ccccc1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide?
The InChIKey is LBHXGZBDSLYBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-17(6-2,13-18)19-15(20)12-16(3,4)14-10-8-7-9-11-14/h7-11H,5-6,12-13,18H2,1-4H3,(H,19,20).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide?
N-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide has a molecular weight of 276.42 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-methyl-3-phenylbutanamide is sourced from PubChem (CID 119571116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).