(2S)-2-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]hexanamide

C17H26N2O2 — CID 103830978

IUPAC(2S)-2-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]hexanamide
SMILESC=CCOc1ccc(CN(C)C(=O)[C@@H](N)CCCC)cc1
InChIInChI=1S/C17H26N2O2/c1-4-6-7-16(18)17(20)19(3)13-14-8-10-15(11-9-14)21-12-5-2/h5,8-11,16H,2,4,6-7,12-13,18H2,1,3H3/t16-/m0/s1
InChIKeyNIKAHEMHMKKISE-INIZCTEOSA-N
MW290.41 g/mol
LogP2.73
Rot. Bonds9

About (2S)-2-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]hexanamide

(2S)-2-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]hexanamide (PubChem CID 103830978) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]hexanamide
PubChem CID103830978
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2S)-2-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]hexanamide
SMILESC=CCOc1ccc(CN(C)C(=O)[C@@H](N)CCCC)cc1
InChIInChI=1S/C17H26N2O2/c1-4-6-7-16(18)17(20)19(3)13-14-8-10-15(11-9-14)21-12-5-2/h5,8-11,16H,2,4,6-7,12-13,18H2,1,3H3/t16-/m0/s1
InChIKeyNIKAHEMHMKKISE-INIZCTEOSA-N
XLogP2.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]pentanamide
CID 104684286
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 119266470
3-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 54868947
2-ethoxy-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]acetamide
CID 60636038
2-amino-N,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]butanamide
CID 79805127
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831117
(3S)-3-amino-4-(4-prop-2-enoxyphenyl)butan-2-one
CID 170070468
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide
CID 103830963
2-amino-N-[(3-cyanophenyl)methyl]-N-methylhexanamide
CID 54870529
(2R)-2-amino-N-[(4-tert-butylphenyl)methyl]-N-methylpentanamide
CID 103793940
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119266766
N-[(2S,3S)-3-methyl-1-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-1-oxopentan-2-yl]benzamide
CID 24544774

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]hexanamide (CID 103830978) is (2S)-2-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]hexanamide is C=CCOc1ccc(CN(C)C(=O)[C@@H](N)CCCC)cc1.
What is the InChIKey of (2S)-2-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]hexanamide?
The InChIKey is NIKAHEMHMKKISE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-6-7-16(18)17(20)19(3)13-14-8-10-15(11-9-14)21-12-5-2/h5,8-11,16H,2,4,6-7,12-13,18H2,1,3H3/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]hexanamide?
(2S)-2-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]hexanamide has a molecular weight of 290.41 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]hexanamide is sourced from PubChem (CID 103830978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).