1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride

C19H31ClN2O3 — CID 119288209

IUPAC1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1cc(C(C)NC(=O)C2(N)CCCCC2)ccc1OC(C)C.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-13(2)24-16-9-8-15(12-17(16)23-4)14(3)21-18(22)19(20)10-6-5-7-11-19;/h8-9,12-14H,5-7,10-11,20H2,1-4H3,(H,21,22);1H
InChIKeyKVRHOKUNEWWCFQ-UHFFFAOYSA-N
MW370.92 g/mol
LogP3.74
Rot. Bonds6

About 1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119288209) has the molecular formula C19H31ClN2O3 and a molecular weight of 370.92 g/mol. Its IUPAC name is 1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119288209
Molecular FormulaC19H31ClN2O3
Molecular Weight370.92 g/mol
Exact Mass370.20
IUPAC Name1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1cc(C(C)NC(=O)C2(N)CCCCC2)ccc1OC(C)C.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-13(2)24-16-9-8-15(12-17(16)23-4)14(3)21-18(22)19(20)10-6-5-7-11-19;/h8-9,12-14H,5-7,10-11,20H2,1-4H3,(H,21,22);1H
InChIKeyKVRHOKUNEWWCFQ-UHFFFAOYSA-N
XLogP3.74
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296520
1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 81179721
1-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119716690
(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204
1-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119273001
1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119706519
1-amino-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119852194
1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119324657
2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 78864734
4-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115294053
1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81350015
1-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119324647

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride (CID 119288209) is 1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride is COc1cc(C(C)NC(=O)C2(N)CCCCC2)ccc1OC(C)C.Cl.
What is the InChIKey of 1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is KVRHOKUNEWWCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3.ClH/c1-13(2)24-16-9-8-15(12-17(16)23-4)14(3)21-18(22)19(20)10-6-5-7-11-19;/h8-9,12-14H,5-7,10-11,20H2,1-4H3,(H,21,22);1H.
What are the key properties of 1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119288209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).