4-amino-N-(2,3-dimethoxypropyl)cyclohexane-1-carboxamide

C12H24N2O3 — CID 114100069

IUPAC4-amino-N-(2,3-dimethoxypropyl)cyclohexane-1-carboxamide
SMILESCOCC(CNC(=O)C1CCC(N)CC1)OC
InChIInChI=1S/C12H24N2O3/c1-16-8-11(17-2)7-14-12(15)9-3-5-10(13)6-4-9/h9-11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyAUVHYGYNKNWLDZ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.28
Rot. Bonds6

About 4-amino-N-(2,3-dimethoxypropyl)cyclohexane-1-carboxamide

4-amino-N-(2,3-dimethoxypropyl)cyclohexane-1-carboxamide (PubChem CID 114100069) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-amino-N-(2,3-dimethoxypropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dimethoxypropyl)cyclohexane-1-carboxamide
PubChem CID114100069
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-amino-N-(2,3-dimethoxypropyl)cyclohexane-1-carboxamide
SMILESCOCC(CNC(=O)C1CCC(N)CC1)OC
InChIInChI=1S/C12H24N2O3/c1-16-8-11(17-2)7-14-12(15)9-3-5-10(13)6-4-9/h9-11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyAUVHYGYNKNWLDZ-UHFFFAOYSA-N
XLogP0.28
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2,2-dimethoxyethyl)cyclohexane-1-carboxamide
CID 61274922
4-amino-N-(4-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide
CID 66092057
3-amino-N-(2-methoxypropyl)cyclopentane-1-carboxamide
CID 102695070
4-amino-N-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxamide
CID 113264018
3-methoxy-4-[(4-methylcyclohexanecarbonyl)amino]butanoic acid
CID 103153013
4-amino-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 104761102
N-(2-chloro-3-methoxypropyl)cyclobutanecarboxamide
CID 114299025
4-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexane-1-carboxamide
CID 103795776
3-methoxy-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]butanoic acid
CID 103152990
4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310576
4-amino-N-(4-propan-2-yloxybutyl)cyclohexane-1-carboxamide
CID 114137006
2-[(4-aminocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 55076337

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dimethoxypropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2,3-dimethoxypropyl)cyclohexane-1-carboxamide (CID 114100069) is 4-amino-N-(2,3-dimethoxypropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2,3-dimethoxypropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2,3-dimethoxypropyl)cyclohexane-1-carboxamide is COCC(CNC(=O)C1CCC(N)CC1)OC.
What is the InChIKey of 4-amino-N-(2,3-dimethoxypropyl)cyclohexane-1-carboxamide?
The InChIKey is AUVHYGYNKNWLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-16-8-11(17-2)7-14-12(15)9-3-5-10(13)6-4-9/h9-11H,3-8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-N-(2,3-dimethoxypropyl)cyclohexane-1-carboxamide?
4-amino-N-(2,3-dimethoxypropyl)cyclohexane-1-carboxamide has a molecular weight of 244.33 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dimethoxypropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114100069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).