(2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide

C15H25N3O — CID 94728896

IUPAC(2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C15H25N3O/c1-4-7-14(16)15(19)17-12-8-10-13(11-9-12)18(5-2)6-3/h8-11,14H,4-7,16H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKeyLMXCLSVLKHVGMX-AWEZNQCLSA-N
MW263.38 g/mol
LogP2.60
Rot. Bonds7

About (2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide

(2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide (PubChem CID 94728896) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide
PubChem CID94728896
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C15H25N3O/c1-4-7-14(16)15(19)17-12-8-10-13(11-9-12)18(5-2)6-3/h8-11,14H,4-7,16H2,1-3H3,(H,17,19)/t14-/m0/s1
InChIKeyLMXCLSVLKHVGMX-AWEZNQCLSA-N
XLogP2.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
(2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide
CID 107144336
2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide
CID 60945538
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide
CID 107568598
4-(2-aminopentanoylamino)-N,N-diethylbenzamide;hydrochloride
CID 119268408
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578
(2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide
CID 107568624
2-amino-N-(4-butylphenyl)pentanamide
CID 43650280
(2R)-2-amino-N-(4-sulfamoylphenyl)pentanamide
CID 107568013
(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107568581

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide (CID 94728896) is (2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide is CCC[C@H](N)C(=O)Nc1ccc(N(CC)CC)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide?
The InChIKey is LMXCLSVLKHVGMX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-7-14(16)15(19)17-12-8-10-13(11-9-12)18(5-2)6-3/h8-11,14H,4-7,16H2,1-3H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide?
(2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide has a molecular weight of 263.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide is sourced from PubChem (CID 94728896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).