4-amino-3-methoxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]butanamide

C19H30N2O3 — CID 120590544

IUPAC4-amino-3-methoxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1cccc(COC2CCCC(C)C2)c1
InChIInChI=1S/C19H30N2O3/c1-14-5-3-8-17(9-14)24-13-15-6-4-7-16(10-15)21-19(22)11-18(12-20)23-2/h4,6-7,10,14,17-18H,3,5,8-9,11-13,20H2,1-2H3,(H,21,22)
InChIKeyQXKIFNARJKOSFV-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.08
Rot. Bonds8

About 4-amino-3-methoxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]butanamide

4-amino-3-methoxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]butanamide (PubChem CID 120590544) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]butanamide
PubChem CID120590544
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name4-amino-3-methoxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1cccc(COC2CCCC(C)C2)c1
InChIInChI=1S/C19H30N2O3/c1-14-5-3-8-17(9-14)24-13-15-6-4-7-16(10-15)21-19(22)11-18(12-20)23-2/h4,6-7,10,14,17-18H,3,5,8-9,11-13,20H2,1-2H3,(H,21,22)
InChIKeyQXKIFNARJKOSFV-UHFFFAOYSA-N
XLogP3.08
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 75437260
4-amino-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]pentanamide;hydrochloride
CID 120561478
2-(cyclopropylmethylamino)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 119754463
2-tert-butylsulfanyl-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 60599967
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-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
CID 97249076
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
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-2-oxoacetamide
CID 95252065
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-N'-(1-pyridin-4-ylethyl)oxamide
CID 86864516
N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-2-(4-nitrophenoxy)acetamide
CID 60599997

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]butanamide (CID 120590544) is 4-amino-3-methoxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]butanamide is COC(CN)CC(=O)Nc1cccc(COC2CCCC(C)C2)c1.
What is the InChIKey of 4-amino-3-methoxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]butanamide?
The InChIKey is QXKIFNARJKOSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14-5-3-8-17(9-14)24-13-15-6-4-7-16(10-15)21-19(22)11-18(12-20)23-2/h4,6-7,10,14,17-18H,3,5,8-9,11-13,20H2,1-2H3,(H,21,22).
What are the key properties of 4-amino-3-methoxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]butanamide?
4-amino-3-methoxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]butanamide has a molecular weight of 334.46 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]butanamide is sourced from PubChem (CID 120590544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).