4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride

C19H31ClN2O2 — CID 120561478

IUPAC4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1cccc(COC2CCCC(C)C2)c1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-14-5-3-8-18(11-14)23-13-16-6-4-7-17(12-16)21-19(22)10-9-15(2)20;/h4,6-7,12,14-15,18H,3,5,8-11,13,20H2,1-2H3,(H,21,22);1H
InChIKeyXLDMGWSCAFNBLY-UHFFFAOYSA-N
MW354.92 g/mol
LogP4.27
Rot. Bonds7

About 4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride

4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride (PubChem CID 120561478) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is 4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride
PubChem CID120561478
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1cccc(COC2CCCC(C)C2)c1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-14-5-3-8-18(11-14)23-13-16-6-4-7-17(12-16)21-19(22)10-9-15(2)20;/h4,6-7,12,14-15,18H,3,5,8-11,13,20H2,1-2H3,(H,21,22);1H
InChIKeyXLDMGWSCAFNBLY-UHFFFAOYSA-N
XLogP4.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 75437260
4-amino-3-methoxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]butanamide
CID 120590544
2-(cyclopropylmethylamino)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 119754463
2-tert-butylsulfanyl-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 60599967
4-amino-N-[3-(cyclopropylmethoxymethyl)phenyl]pentanamide
CID 120561459
methyl N-[4-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]anilino]-1-oxopentan-2-yl]carbamate
CID 60599927
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]azepane-1-carboxamide
CID 71883147
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
CID 86864516
N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
CID 97249076
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306626
4-(methoxymethyl)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 120626279
N'-[1-(3-methoxyphenyl)propan-2-yl]-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]oxamide
CID 86943907

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride (CID 120561478) is 4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride is CC(N)CCC(=O)Nc1cccc(COC2CCCC(C)C2)c1.Cl.
What is the InChIKey of 4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride?
The InChIKey is XLDMGWSCAFNBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-14-5-3-8-18(11-14)23-13-16-6-4-7-17(12-16)21-19(22)10-9-15(2)20;/h4,6-7,12,14-15,18H,3,5,8-11,13,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride?
4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 120561478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).