1-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylcyclohexane-1-carboxamide;hydrochloride

C16H33ClN2O4 — CID 119303454

IUPAC1-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)OCCOCC(O)CN(C)C(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C16H32N2O4.ClH/c1-13(2)22-10-9-21-12-14(19)11-18(3)15(20)16(17)7-5-4-6-8-16;/h13-14,19H,4-12,17H2,1-3H3;1H
InChIKeyOUXVFBNBYYSMQN-UHFFFAOYSA-N
MW352.90 g/mol
LogP1.33
Rot. Bonds9

About 1-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylcyclohexane-1-carboxamide;hydrochloride

1-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119303454) has the molecular formula C16H33ClN2O4 and a molecular weight of 352.90 g/mol. Its IUPAC name is 1-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119303454
Molecular FormulaC16H33ClN2O4
Molecular Weight352.90 g/mol
Exact Mass352.21
IUPAC Name1-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)OCCOCC(O)CN(C)C(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C16H32N2O4.ClH/c1-13(2)22-10-9-21-12-14(19)11-18(3)15(20)16(17)7-5-4-6-8-16;/h13-14,19H,4-12,17H2,1-3H3;1H
InChIKeyOUXVFBNBYYSMQN-UHFFFAOYSA-N
XLogP1.33
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.90
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylcyclohexane-1-carboxamide;hydrochloride 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

1-amino-N-methyl-N-(2-methylbutyl)cyclohexane-1-carboxamide
CID 43295917
(2S)-2-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N,3-dimethylbutanamide
CID 119303457
3-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119749079
N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 105056166
N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylpyrrolidine-3-carboxamide
CID 119749096
1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 62517581
1-amino-N-(3-methoxypropyl)-N-methylcyclohexane-1-carboxamide
CID 63008768
1-amino-N-(cyclopropylmethyl)-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119297257
1-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide
CID 106915391
1-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
CID 80587473
3-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]-2,2-dimethylpropanamide
CID 106276148
2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]oxyacetamide
CID 112673643

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylcyclohexane-1-carboxamide;hydrochloride (CID 119303454) is 1-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylcyclohexane-1-carboxamide;hydrochloride is CC(C)OCCOCC(O)CN(C)C(=O)C1(N)CCCCC1.Cl.
What is the InChIKey of 1-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is OUXVFBNBYYSMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O4.ClH/c1-13(2)22-10-9-21-12-14(19)11-18(3)15(20)16(17)7-5-4-6-8-16;/h13-14,19H,4-12,17H2,1-3H3;1H.
What are the key properties of 1-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 352.90 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-N-methylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119303454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).