(2S)-2-amino-N-butyl-N-phenylpentanamide

C15H24N2O — CID 107569866

IUPAC(2S)-2-amino-N-butyl-N-phenylpentanamide
SMILESCCCCN(C(=O)[C@@H](N)CCC)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-5-12-17(13-10-7-6-8-11-13)15(18)14(16)9-4-2/h6-8,10-11,14H,3-5,9,12,16H2,1-2H3/t14-/m0/s1
InChIKeyCEKPETFVEQQUHO-AWEZNQCLSA-N
MW248.37 g/mol
LogP2.95
Rot. Bonds7

About (2S)-2-amino-N-butyl-N-phenylpentanamide

(2S)-2-amino-N-butyl-N-phenylpentanamide (PubChem CID 107569866) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-2-amino-N-butyl-N-phenylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-butyl-N-phenylpentanamide
PubChem CID107569866
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-2-amino-N-butyl-N-phenylpentanamide
SMILESCCCCN(C(=O)[C@@H](N)CCC)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-5-12-17(13-10-7-6-8-11-13)15(18)14(16)9-4-2/h6-8,10-11,14H,3-5,9,12,16H2,1-2H3/t14-/m0/s1
InChIKeyCEKPETFVEQQUHO-AWEZNQCLSA-N
XLogP2.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[N-(2-aminopentanoyl)anilino]butanoic acid
CID 61162052
2-amino-N-butyl-5-methoxy-N-phenylpentanamide
CID 81101701
4-[N-(2-aminohexanoyl)anilino]butanoic acid
CID 61159735
N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736
4-amino-N-butyl-N-phenylpentanamide
CID 64585388
4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid
CID 79022828
2-amino-N-butyl-N-(1-phenylethyl)pentanamide
CID 119331563
4-(N-(2-amino-4-methoxybutanoyl)anilino)butanoic acid
CID 62473233
N-(3-aminopropyl)-2-ethyl-N-phenylhexanamide
CID 43135930
2-amino-N-phenyl-N-(thiophen-3-ylmethyl)pentanamide
CID 119314161
3-(N-[(2S)-2-aminobutanoyl]anilino)propanoic acid
CID 79023442

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-butyl-N-phenylpentanamide?
The IUPAC name of (2S)-2-amino-N-butyl-N-phenylpentanamide (CID 107569866) is (2S)-2-amino-N-butyl-N-phenylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-butyl-N-phenylpentanamide?
The canonical SMILES for (2S)-2-amino-N-butyl-N-phenylpentanamide is CCCCN(C(=O)[C@@H](N)CCC)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-butyl-N-phenylpentanamide?
The InChIKey is CEKPETFVEQQUHO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-5-12-17(13-10-7-6-8-11-13)15(18)14(16)9-4-2/h6-8,10-11,14H,3-5,9,12,16H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-butyl-N-phenylpentanamide?
(2S)-2-amino-N-butyl-N-phenylpentanamide has a molecular weight of 248.37 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-butyl-N-phenylpentanamide is sourced from PubChem (CID 107569866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).