(2S)-6-amino-2-(benzylamino)-N-decylhexanamide

C23H41N3O — CID 134231394

IUPAC(2S)-6-amino-2-(benzylamino)-N-decylhexanamide
SMILESCCCCCCCCCCNC(=O)[C@H](CCCCN)NCc1ccccc1
InChIInChI=1S/C23H41N3O/c1-2-3-4-5-6-7-8-14-19-25-23(27)22(17-12-13-18-24)26-20-21-15-10-9-11-16-21/h9-11,15-16,22,26H,2-8,12-14,17-20,24H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyCRNIHFLIYOVZNR-QFIPXVFZSA-N
MW375.60 g/mol
LogP4.53
Rot. Bonds17

About (2S)-6-amino-2-(benzylamino)-N-decylhexanamide

(2S)-6-amino-2-(benzylamino)-N-decylhexanamide (PubChem CID 134231394) has the molecular formula C23H41N3O and a molecular weight of 375.60 g/mol. Its IUPAC name is (2S)-6-amino-2-(benzylamino)-N-decylhexanamide.

Molecular Properties

Compound Name(2S)-6-amino-2-(benzylamino)-N-decylhexanamide
PubChem CID134231394
Molecular FormulaC23H41N3O
Molecular Weight375.60 g/mol
Exact Mass375.32
IUPAC Name(2S)-6-amino-2-(benzylamino)-N-decylhexanamide
SMILESCCCCCCCCCCNC(=O)[C@H](CCCCN)NCc1ccccc1
InChIInChI=1S/C23H41N3O/c1-2-3-4-5-6-7-8-14-19-25-23(27)22(17-12-13-18-24)26-20-21-15-10-9-11-16-21/h9-11,15-16,22,26H,2-8,12-14,17-20,24H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyCRNIHFLIYOVZNR-QFIPXVFZSA-N
XLogP4.53
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.60
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(benzylamino)nonanoic acid
CID 54889620
(2S)-6-amino-2-(benzylamino)-N-(2-heptoxy-3-methoxypropyl)hexanamide;dihydrochloride
CID 134231508
(2S)-6-amino-2-(benzylamino)-N-(2,3-diheptoxypropyl)hexanamide;dihydrochloride
CID 134231468
acetyl chloride;6-amino-2-(benzylamino)hexanoic acid
CID 174530282
2-N-[(2S)-6-amino-1-(hexadecylamino)-1-oxohexan-2-yl]-1-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 139804241
(2R)-2-(benzylamino)hexanoic acid
CID 129366307
benzyl N-[(2S)-6-amino-1-[[(2S)-6-[[(2S)-6-amino-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-1-[[(2S)-1-(octylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]carbamate;dihydrochloride
CID 57398227
tert-butyl 2-(benzylamino)decanoate
CID 162010682
6-amino-2-(hexylamino)hexanoic acid
CID 87424914
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426
ethyl 2-(5-aminopentylamino)-4-phenylbutanoate
CID 70340285
6-amino-N-octadecyl-2-(propanoylamino)hexanamide
CID 21362219

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(benzylamino)-N-decylhexanamide?
The IUPAC name of (2S)-6-amino-2-(benzylamino)-N-decylhexanamide (CID 134231394) is (2S)-6-amino-2-(benzylamino)-N-decylhexanamide.
What is the SMILES notation for (2S)-6-amino-2-(benzylamino)-N-decylhexanamide?
The canonical SMILES for (2S)-6-amino-2-(benzylamino)-N-decylhexanamide is CCCCCCCCCCNC(=O)[C@H](CCCCN)NCc1ccccc1.
What is the InChIKey of (2S)-6-amino-2-(benzylamino)-N-decylhexanamide?
The InChIKey is CRNIHFLIYOVZNR-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H41N3O/c1-2-3-4-5-6-7-8-14-19-25-23(27)22(17-12-13-18-24)26-20-21-15-10-9-11-16-21/h9-11,15-16,22,26H,2-8,12-14,17-20,24H2,1H3,(H,25,27)/t22-/m0/s1.
What are the key properties of (2S)-6-amino-2-(benzylamino)-N-decylhexanamide?
(2S)-6-amino-2-(benzylamino)-N-decylhexanamide has a molecular weight of 375.60 g/mol, XLogP of 4.53, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(benzylamino)-N-decylhexanamide is sourced from PubChem (CID 134231394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).