(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride

C17H35ClN2O3 — CID 70064203

IUPAC(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride
SMILESCC(C)COCCCNC(=O)C(O)[C@H](N)CC1CCCCC1.Cl
InChIInChI=1S/C17H34N2O3.ClH/c1-13(2)12-22-10-6-9-19-17(21)16(20)15(18)11-14-7-4-3-5-8-14;/h13-16,20H,3-12,18H2,1-2H3,(H,19,21);1H/t15-,16?;/m1./s1
InChIKeyPYTAJXXXANOHKX-PGZQCDFOSA-N
MW350.93 g/mol
LogP2.25
Rot. Bonds10

About (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride

(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride (PubChem CID 70064203) has the molecular formula C17H35ClN2O3 and a molecular weight of 350.93 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride
PubChem CID70064203
Molecular FormulaC17H35ClN2O3
Molecular Weight350.93 g/mol
Exact Mass350.23
IUPAC Name(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride
SMILESCC(C)COCCCNC(=O)C(O)[C@H](N)CC1CCCCC1.Cl
InChIInChI=1S/C17H34N2O3.ClH/c1-13(2)12-22-10-6-9-19-17(21)16(20)15(18)11-14-7-4-3-5-8-14;/h13-16,20H,3-12,18H2,1-2H3,(H,19,21);1H/t15-,16?;/m1./s1
InChIKeyPYTAJXXXANOHKX-PGZQCDFOSA-N
XLogP2.25
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride
CID 70063212
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 114207698
2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 60714986
ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate
CID 70097268
(2S,4S)-5-amino-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide
CID 58964067
3-amino-N-(cyclohexylmethyl)-2-hydroxypentanamide
CID 139329085
(2S,3S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]pentanamide
CID 61155526
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide
CID 15516889
benzyl (2S)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate
CID 10155562
2-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275790
N-cyclohexyl-2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111402370

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride (CID 70064203) is (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride is CC(C)COCCCNC(=O)C(O)[C@H](N)CC1CCCCC1.Cl.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride?
The InChIKey is PYTAJXXXANOHKX-PGZQCDFOSA-N. The full InChI is InChI=1S/C17H34N2O3.ClH/c1-13(2)12-22-10-6-9-19-17(21)16(20)15(18)11-14-7-4-3-5-8-14;/h13-16,20H,3-12,18H2,1-2H3,(H,19,21);1H/t15-,16?;/m1./s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride?
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride has a molecular weight of 350.93 g/mol, XLogP of 2.25, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[3-(2-methylpropoxy)propyl]butanamide;hydrochloride is sourced from PubChem (CID 70064203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).