(2S,4S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide

C19H38N2O2 — CID 58964067

IUPAC(2S,4S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide
SMILESCCCCNC(=O)[C@@H](C[C@H](O)C(N)CC1CCCCC1)C(C)C
InChIInChI=1S/C19H38N2O2/c1-4-5-11-21-19(23)16(14(2)3)13-18(22)17(20)12-15-9-7-6-8-10-15/h14-18,22H,4-13,20H2,1-3H3,(H,21,23)/t16-,17?,18-/m0/s1
InChIKeyLHESRVQHGDYSAM-RGBJRUIASA-N
MW326.53 g/mol
LogP3.22
Rot. Bonds10

About (2S,4S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide

(2S,4S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide (PubChem CID 58964067) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is (2S,4S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide.

Molecular Properties

Compound Name(2S,4S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide
PubChem CID58964067
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name(2S,4S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide
SMILESCCCCNC(=O)[C@@H](C[C@H](O)C(N)CC1CCCCC1)C(C)C
InChIInChI=1S/C19H38N2O2/c1-4-5-11-21-19(23)16(14(2)3)13-18(22)17(20)12-15-9-7-6-8-10-15/h14-18,22H,4-13,20H2,1-3H3,(H,21,23)/t16-,17?,18-/m0/s1
InChIKeyLHESRVQHGDYSAM-RGBJRUIASA-N
XLogP3.22
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 53.22
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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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide?
The IUPAC name of (2S,4S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide (CID 58964067) is (2S,4S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide.
What is the SMILES notation for (2S,4S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide?
The canonical SMILES for (2S,4S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide is CCCCNC(=O)[C@@H](C[C@H](O)C(N)CC1CCCCC1)C(C)C.
What is the InChIKey of (2S,4S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide?
The InChIKey is LHESRVQHGDYSAM-RGBJRUIASA-N. The full InChI is InChI=1S/C19H38N2O2/c1-4-5-11-21-19(23)16(14(2)3)13-18(22)17(20)12-15-9-7-6-8-10-15/h14-18,22H,4-13,20H2,1-3H3,(H,21,23)/t16-,17?,18-/m0/s1.
What are the key properties of (2S,4S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide?
(2S,4S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide has a molecular weight of 326.53 g/mol, XLogP of 3.22, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide is sourced from PubChem (CID 58964067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).