N-(1-aminobutyl)-2-[4-(2-methylpropyl)phenyl]propanamide

C17H28N2O — CID 89455397

IUPACN-(1-aminobutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCCCC(N)NC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-5-6-16(18)19-17(20)13(4)15-9-7-14(8-10-15)11-12(2)3/h7-10,12-13,16H,5-6,11,18H2,1-4H3,(H,19,20)
InChIKeySJSFEWKJBRSOPM-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.19
Rot. Bonds7

About N-(1-aminobutyl)-2-[4-(2-methylpropyl)phenyl]propanamide

N-(1-aminobutyl)-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 89455397) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(1-aminobutyl)-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(1-aminobutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID89455397
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(1-aminobutyl)-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCCCC(N)NC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-5-6-16(18)19-17(20)13(4)15-9-7-14(8-10-15)11-12(2)3/h7-10,12-13,16H,5-6,11,18H2,1-4H3,(H,19,20)
InChIKeySJSFEWKJBRSOPM-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11841279
(2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide
CID 103793979
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
3-methyl-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentanamide
CID 175979048
(2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11817897
(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide
CID 1207292
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
(2S)-3-methoxy-2-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoic acid
CID 68530815
methyl (2R)-3-(dimethylamino)-2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoate
CID 69236269
2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid
CID 101407950
(2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
CID 119267839

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-(1-aminobutyl)-2-[4-(2-methylpropyl)phenyl]propanamide (CID 89455397) is N-(1-aminobutyl)-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-(1-aminobutyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-(1-aminobutyl)-2-[4-(2-methylpropyl)phenyl]propanamide is CCCC(N)NC(=O)C(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-(1-aminobutyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is SJSFEWKJBRSOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-6-16(18)19-17(20)13(4)15-9-7-14(8-10-15)11-12(2)3/h7-10,12-13,16H,5-6,11,18H2,1-4H3,(H,19,20).
What are the key properties of N-(1-aminobutyl)-2-[4-(2-methylpropyl)phenyl]propanamide?
N-(1-aminobutyl)-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutyl)-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 89455397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).