(2S)-2-amino-N-[(3-propylphenyl)methyl]heptanamide

C17H28N2O — CID 118439878

IUPAC(2S)-2-amino-N-[(3-propylphenyl)methyl]heptanamide
SMILESCCCCC[C@H](N)C(=O)NCc1cccc(CCC)c1
InChIInChI=1S/C17H28N2O/c1-3-5-6-11-16(18)17(20)19-13-15-10-7-9-14(12-15)8-4-2/h7,9-10,12,16H,3-6,8,11,13,18H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyTXSLGCKKZNOWCG-INIZCTEOSA-N
MW276.42 g/mol
LogP3.16
Rot. Bonds9

About (2S)-2-amino-N-[(3-propylphenyl)methyl]heptanamide

(2S)-2-amino-N-[(3-propylphenyl)methyl]heptanamide (PubChem CID 118439878) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3-propylphenyl)methyl]heptanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3-propylphenyl)methyl]heptanamide
PubChem CID118439878
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(2S)-2-amino-N-[(3-propylphenyl)methyl]heptanamide
SMILESCCCCC[C@H](N)C(=O)NCc1cccc(CCC)c1
InChIInChI=1S/C17H28N2O/c1-3-5-6-11-16(18)17(20)19-13-15-10-7-9-14(12-15)8-4-2/h7,9-10,12,16H,3-6,8,11,13,18H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyTXSLGCKKZNOWCG-INIZCTEOSA-N
XLogP3.16
TPSA55.12 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 ≤ 53.16
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

(2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide
CID 103831227
(2S)-2-amino-N-[(3-nitrophenyl)methyl]hexanamide
CID 94460302
(2S,3S)-2-amino-3-hydroxy-N-[(3-octylphenyl)methyl]butanamide
CID 45255821
2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
CID 119281680
3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide
CID 103795148
2-amino-N-benzylpentanamide
CID 11020044
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
CID 107568769
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide
CID 67015275
(2S)-2-amino-N-[[3-(aminomethyl)phenyl]methyl]-4-phenylbutanamide;dihydrochloride
CID 138011974
2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872985
2-amino-N-[[3-[2-(4-chlorophenyl)ethyl]phenyl]methyl]pentanamide;4-fluorobenzenethiol
CID 144650774
2-amino-N-[(2-ethylphenyl)methyl]hexanamide
CID 64682652

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3-propylphenyl)methyl]heptanamide?
The IUPAC name of (2S)-2-amino-N-[(3-propylphenyl)methyl]heptanamide (CID 118439878) is (2S)-2-amino-N-[(3-propylphenyl)methyl]heptanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3-propylphenyl)methyl]heptanamide?
The canonical SMILES for (2S)-2-amino-N-[(3-propylphenyl)methyl]heptanamide is CCCCC[C@H](N)C(=O)NCc1cccc(CCC)c1.
What is the InChIKey of (2S)-2-amino-N-[(3-propylphenyl)methyl]heptanamide?
The InChIKey is TXSLGCKKZNOWCG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-5-6-11-16(18)17(20)19-13-15-10-7-9-14(12-15)8-4-2/h7,9-10,12,16H,3-6,8,11,13,18H2,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3-propylphenyl)methyl]heptanamide?
(2S)-2-amino-N-[(3-propylphenyl)methyl]heptanamide has a molecular weight of 276.42 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3-propylphenyl)methyl]heptanamide is sourced from PubChem (CID 118439878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).