3-amino-N-[2-(4-methylphenyl)oxan-3-yl]cyclopentane-1-carboxamide;hydrochloride

C18H27ClN2O2 — CID 119818112

IUPAC3-amino-N-[2-(4-methylphenyl)oxan-3-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1ccc(C2OCCCC2NC(=O)C2CCC(N)C2)cc1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-12-4-6-13(7-5-12)17-16(3-2-10-22-17)20-18(21)14-8-9-15(19)11-14;/h4-7,14-17H,2-3,8-11,19H2,1H3,(H,20,21);1H
InChIKeyYKISKAVSZCFTQT-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.88
Rot. Bonds3

About 3-amino-N-[2-(4-methylphenyl)oxan-3-yl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[2-(4-methylphenyl)oxan-3-yl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119818112) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methylphenyl)oxan-3-yl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4-methylphenyl)oxan-3-yl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119818112
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name3-amino-N-[2-(4-methylphenyl)oxan-3-yl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1ccc(C2OCCCC2NC(=O)C2CCC(N)C2)cc1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-12-4-6-13(7-5-12)17-16(3-2-10-22-17)20-18(21)14-8-9-15(19)11-14;/h4-7,14-17H,2-3,8-11,19H2,1H3,(H,20,21);1H
InChIKeyYKISKAVSZCFTQT-UHFFFAOYSA-N
XLogP2.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide
CID 95964708
N-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119343321
2-amino-3-methoxy-N-[2-(4-methylphenyl)oxan-3-yl]propanamide
CID 120991542
2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride
CID 119818126
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
3-methyl-N-[(2R,3R)-2-(4-methylphenyl)oxan-3-yl]thiophene-2-carboxamide
CID 95964683
(3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide
CID 129467980
(2S,3R)-2-(4-methylphenyl)oxan-3-amine
CID 95757199
3-amino-N-(2-hydroxycyclohexyl)cyclopentane-1-carboxamide
CID 66007557
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
3-amino-N-(2,3-dimethylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119676180
(3-aminocyclopentyl)-(4-methylphenyl)methanone
CID 116587095

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methylphenyl)oxan-3-yl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(4-methylphenyl)oxan-3-yl]cyclopentane-1-carboxamide;hydrochloride (CID 119818112) is 3-amino-N-[2-(4-methylphenyl)oxan-3-yl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4-methylphenyl)oxan-3-yl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(4-methylphenyl)oxan-3-yl]cyclopentane-1-carboxamide;hydrochloride is Cc1ccc(C2OCCCC2NC(=O)C2CCC(N)C2)cc1.Cl.
What is the InChIKey of 3-amino-N-[2-(4-methylphenyl)oxan-3-yl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is YKISKAVSZCFTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-12-4-6-13(7-5-12)17-16(3-2-10-22-17)20-18(21)14-8-9-15(19)11-14;/h4-7,14-17H,2-3,8-11,19H2,1H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[2-(4-methylphenyl)oxan-3-yl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[2-(4-methylphenyl)oxan-3-yl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-methylphenyl)oxan-3-yl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119818112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).