3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide

C16H23ClN2O3 — CID 119739551

IUPAC3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2CCCC(N)C2)cc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-21-7-8-22-15-6-5-13(10-14(15)17)19-16(20)11-3-2-4-12(18)9-11/h5-6,10-12H,2-4,7-9,18H2,1H3,(H,19,20)
InChIKeySURKPTYBMDMNAS-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.82
Rot. Bonds6

About 3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide

3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide (PubChem CID 119739551) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide
PubChem CID119739551
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2CCCC(N)C2)cc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-21-7-8-22-15-6-5-13(10-14(15)17)19-16(20)11-3-2-4-12(18)9-11/h5-6,10-12H,2-4,7-9,18H2,1H3,(H,19,20)
InChIKeySURKPTYBMDMNAS-UHFFFAOYSA-N
XLogP2.82
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120624364
3-amino-N-[4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119723414
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
3-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclohexane-1-carboxamide
CID 119717609
5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride
CID 119738470
4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119737826
3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 114839686
3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119725658
3-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119773171
4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928597
3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide
CID 119779626
N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide
CID 119707616

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide (CID 119739551) is 3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide is COCCOc1ccc(NC(=O)C2CCCC(N)C2)cc1Cl.
What is the InChIKey of 3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide?
The InChIKey is SURKPTYBMDMNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-21-7-8-22-15-6-5-13(10-14(15)17)19-16(20)11-3-2-4-12(18)9-11/h5-6,10-12H,2-4,7-9,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide?
3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide has a molecular weight of 326.82 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119739551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).