N-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide

C17H28N2O — CID 60849585

IUPACN-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide
SMILESCCCC(NC(=O)CCCNC(C)C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-4-9-16(15-10-6-5-7-11-15)19-17(20)12-8-13-18-14(2)3/h5-7,10-11,14,16,18H,4,8-9,12-13H2,1-3H3,(H,19,20)
InChIKeyVQRGNVGRSZMPLE-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.42
Rot. Bonds9

About N-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide

N-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide (PubChem CID 60849585) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide
PubChem CID60849585
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide
SMILESCCCC(NC(=O)CCCNC(C)C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-4-9-16(15-10-6-5-7-11-15)19-17(20)12-8-13-18-14(2)3/h5-7,10-11,14,16,18H,4,8-9,12-13H2,1-3H3,(H,19,20)
InChIKeyVQRGNVGRSZMPLE-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-4-phenylbutanoic acid
CID 119201158
3-(1-phenylhexylamino)-N-propan-2-ylpropanamide
CID 115709150
4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide
CID 17477366
N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylamino)butanamide
CID 60849558
2-[4-(propan-2-ylamino)butanoylamino]pentanoic acid
CID 61160086
(2R)-2-[4-(propan-2-ylamino)butanoylamino]pentanoic acid
CID 107565030
methyl 4-[4-(methylamino)butanoylamino]-4-phenylbutanoate
CID 119777925
N-(1,2-diphenylethyl)pentanamide
CID 134014505
N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
CID 63183611
1-phenylbutylurea
CID 2852079
4-[[5-(ethylamino)-5-oxopentanoyl]amino]-4-phenylbutanoic acid
CID 119201300
(2R)-3-phenyl-2-[4-(propan-2-ylamino)butanoylamino]propanoic acid
CID 104902040

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide (CID 60849585) is N-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide is CCCC(NC(=O)CCCNC(C)C)c1ccccc1.
What is the InChIKey of N-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide?
The InChIKey is VQRGNVGRSZMPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-9-16(15-10-6-5-7-11-15)19-17(20)12-8-13-18-14(2)3/h5-7,10-11,14,16,18H,4,8-9,12-13H2,1-3H3,(H,19,20).
What are the key properties of N-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide?
N-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide has a molecular weight of 276.42 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutyl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60849585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).