(2S)-2-amino-N-dodecylhexanamide;hydrochloride

C18H39ClN2O — CID 135364190

IUPAC(2S)-2-amino-N-dodecylhexanamide;hydrochloride
SMILESCCCCCCCCCCCCNC(=O)[C@@H](N)CCCC.Cl
InChIInChI=1S/C18H38N2O.ClH/c1-3-5-7-8-9-10-11-12-13-14-16-20-18(21)17(19)15-6-4-2;/h17H,3-16,19H2,1-2H3,(H,20,21);1H/t17-;/m0./s1
InChIKeyWWVCYFMPQVEDSG-LMOVPXPDSA-N
MW334.98 g/mol
LogP4.96
Rot. Bonds15

About (2S)-2-amino-N-dodecylhexanamide;hydrochloride

(2S)-2-amino-N-dodecylhexanamide;hydrochloride (PubChem CID 135364190) has the molecular formula C18H39ClN2O and a molecular weight of 334.98 g/mol. Its IUPAC name is (2S)-2-amino-N-dodecylhexanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-dodecylhexanamide;hydrochloride
PubChem CID135364190
Molecular FormulaC18H39ClN2O
Molecular Weight334.98 g/mol
Exact Mass334.28
IUPAC Name(2S)-2-amino-N-dodecylhexanamide;hydrochloride
SMILESCCCCCCCCCCCCNC(=O)[C@@H](N)CCCC.Cl
InChIInChI=1S/C18H38N2O.ClH/c1-3-5-7-8-9-10-11-12-13-14-16-20-18(21)17(19)15-6-4-2;/h17H,3-16,19H2,1-2H3,(H,20,21);1H/t17-;/m0./s1
InChIKeyWWVCYFMPQVEDSG-LMOVPXPDSA-N
XLogP4.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.98
LogP ≤ 54.96
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

2-amino-N-hexylhexanamide
CID 60852762
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
(2S)-2,6-diamino-N-hexadecylhexanamide
CID 10595298
(2R)-2,6-diamino-N-dodecylhexanamide
CID 10663029
(2R)-2-amino-N-tetradecylbutanamide
CID 158842614
(2S)-2-amino-N-[4-(propan-2-ylamino)butyl]hexanamide
CID 167615708
2,3-diamino-N-octadecylpropanamide
CID 158457421
(2R)-2-amino-3-hydroxy-N-octylpropanamide
CID 82675053
2-amino-N-octadecyl-5-oxotetracosanamide
CID 161320557
(2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide
CID 103831986
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(octadecylamino)hexanamide
CID 11621214
(2R)-2-amino-N-butylpentanamide
CID 82668431

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-dodecylhexanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-dodecylhexanamide;hydrochloride (CID 135364190) is (2S)-2-amino-N-dodecylhexanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-dodecylhexanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-dodecylhexanamide;hydrochloride is CCCCCCCCCCCCNC(=O)[C@@H](N)CCCC.Cl.
What is the InChIKey of (2S)-2-amino-N-dodecylhexanamide;hydrochloride?
The InChIKey is WWVCYFMPQVEDSG-LMOVPXPDSA-N. The full InChI is InChI=1S/C18H38N2O.ClH/c1-3-5-7-8-9-10-11-12-13-14-16-20-18(21)17(19)15-6-4-2;/h17H,3-16,19H2,1-2H3,(H,20,21);1H/t17-;/m0./s1.
What are the key properties of (2S)-2-amino-N-dodecylhexanamide;hydrochloride?
(2S)-2-amino-N-dodecylhexanamide;hydrochloride has a molecular weight of 334.98 g/mol, XLogP of 4.96, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-dodecylhexanamide;hydrochloride is sourced from PubChem (CID 135364190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).