3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide

C15H24N2O2 — CID 107317767

IUPAC3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NCCCCCO)C(N)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-12(14(16)13-8-4-2-5-9-13)15(19)17-10-6-3-7-11-18/h2,4-5,8-9,12,14,18H,3,6-7,10-11,16H2,1H3,(H,17,19)
InChIKeyMFTNTKCQXWGUFI-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.60
Rot. Bonds8

About 3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide

3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide (PubChem CID 107317767) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide
PubChem CID107317767
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NCCCCCO)C(N)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-12(14(16)13-8-4-2-5-9-13)15(19)17-10-6-3-7-11-18/h2,4-5,8-9,12,14,18H,3,6-7,10-11,16H2,1H3,(H,17,19)
InChIKeyMFTNTKCQXWGUFI-UHFFFAOYSA-N
XLogP1.60
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methyl-3-phenylpropanamide
CID 106310884
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213
methyl 6-[(3-amino-2-methyl-3-phenylpropanoyl)amino]hexanoate
CID 119686216
2-amino-N-(5-hydroxypentyl)-2-phenylacetamide
CID 69266542
3-amino-N-(5,5-dimethylhexyl)-2-methyl-3-phenylpropanamide
CID 119775743
N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119725929
3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119722375
3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide
CID 115737917
3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide
CID 107842431
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
3-amino-2-methyl-N-[3-(2-methylpropoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119693609
3-amino-2-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]propanamide;dihydrochloride
CID 119874678

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide (CID 107317767) is 3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide is CC(C(=O)NCCCCCO)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide?
The InChIKey is MFTNTKCQXWGUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(14(16)13-8-4-2-5-9-13)15(19)17-10-6-3-7-11-18/h2,4-5,8-9,12,14,18H,3,6-7,10-11,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide?
3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 107317767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).