2-benzyl-N-[5-(propan-2-ylamino)pentyl]butanamide

C19H32N2O — CID 123901383

IUPAC2-benzyl-N-[5-(propan-2-ylamino)pentyl]butanamide
SMILESCCC(Cc1ccccc1)C(=O)NCCCCCNC(C)C
InChIInChI=1S/C19H32N2O/c1-4-18(15-17-11-7-5-8-12-17)19(22)21-14-10-6-9-13-20-16(2)3/h5,7-8,11-12,16,18,20H,4,6,9-10,13-15H2,1-3H3,(H,21,22)
InChIKeyUANAMKIZMICOSB-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.54
Rot. Bonds11

About 2-benzyl-N-[5-(propan-2-ylamino)pentyl]butanamide

2-benzyl-N-[5-(propan-2-ylamino)pentyl]butanamide (PubChem CID 123901383) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 2-benzyl-N-[5-(propan-2-ylamino)pentyl]butanamide.

Molecular Properties

Compound Name2-benzyl-N-[5-(propan-2-ylamino)pentyl]butanamide
PubChem CID123901383
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name2-benzyl-N-[5-(propan-2-ylamino)pentyl]butanamide
SMILESCCC(Cc1ccccc1)C(=O)NCCCCCNC(C)C
InChIInChI=1S/C19H32N2O/c1-4-18(15-17-11-7-5-8-12-17)19(22)21-14-10-6-9-13-20-16(2)3/h5,7-8,11-12,16,18,20H,4,6,9-10,13-15H2,1-3H3,(H,21,22)
InChIKeyUANAMKIZMICOSB-UHFFFAOYSA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.54
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

2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide
CID 63002980
alumane;3-benzylpentan-2-one
CID 174773852
N-butyl-2-methyl-3-phenylpropanamide
CID 70830385
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
(2S)-2-benzyl-N,3-dimethyl-N-[5-(propan-2-ylamino)pentyl]butanamide
CID 157342075
(2R)-2-benzyl-N-butyl-3-methylpentanamide
CID 155243987
3-[(2-benzyl-3-sulfanylpropanoyl)amino]propane-1-sulfonic acid
CID 15120721
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
(2S)-2-acetamido-N-hexadecyl-3-phenylpropanamide
CID 101010140
2,4-dibenzyl-5-(3-hydroxypropylamino)-5-oxopentanoate
CID 91928942
(2S)-2-(dodecylcarbamoylamino)-N-[6-[[(2S)-2-(dodecylcarbamoylamino)-3-phenylpropanoyl]amino]hexyl]-3-phenylpropanamide
CID 102449042

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[5-(propan-2-ylamino)pentyl]butanamide?
The IUPAC name of 2-benzyl-N-[5-(propan-2-ylamino)pentyl]butanamide (CID 123901383) is 2-benzyl-N-[5-(propan-2-ylamino)pentyl]butanamide.
What is the SMILES notation for 2-benzyl-N-[5-(propan-2-ylamino)pentyl]butanamide?
The canonical SMILES for 2-benzyl-N-[5-(propan-2-ylamino)pentyl]butanamide is CCC(Cc1ccccc1)C(=O)NCCCCCNC(C)C.
What is the InChIKey of 2-benzyl-N-[5-(propan-2-ylamino)pentyl]butanamide?
The InChIKey is UANAMKIZMICOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-4-18(15-17-11-7-5-8-12-17)19(22)21-14-10-6-9-13-20-16(2)3/h5,7-8,11-12,16,18,20H,4,6,9-10,13-15H2,1-3H3,(H,21,22).
What are the key properties of 2-benzyl-N-[5-(propan-2-ylamino)pentyl]butanamide?
2-benzyl-N-[5-(propan-2-ylamino)pentyl]butanamide has a molecular weight of 304.48 g/mol, XLogP of 3.54, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[5-(propan-2-ylamino)pentyl]butanamide is sourced from PubChem (CID 123901383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).