4-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-N-methylcyclohexane-1-carboxamide

C21H34N2O3 — CID 166238845

IUPAC4-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(NCC(O)COc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C21H34N2O3/c1-21(2,3)16-7-11-19(12-8-16)26-14-18(24)13-23-17-9-5-15(6-10-17)20(25)22-4/h7-8,11-12,15,17-18,23-24H,5-6,9-10,13-14H2,1-4H3,(H,22,25)
InChIKeyVYNUXZUQKCXJSX-UHFFFAOYSA-N
MW362.51 g/mol
LogP2.62
Rot. Bonds7

About 4-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-N-methylcyclohexane-1-carboxamide

4-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-N-methylcyclohexane-1-carboxamide (PubChem CID 166238845) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 4-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-N-methylcyclohexane-1-carboxamide
PubChem CID166238845
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name4-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(NCC(O)COc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C21H34N2O3/c1-21(2,3)16-7-11-19(12-8-16)26-14-18(24)13-23-17-9-5-15(6-10-17)20(25)22-4/h7-8,11-12,15,17-18,23-24H,5-6,9-10,13-14H2,1-4H3,(H,22,25)
InChIKeyVYNUXZUQKCXJSX-UHFFFAOYSA-N
XLogP2.62
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-N-methylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide
CID 110882716
1-(4-tert-butylphenoxy)-3-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol
CID 166238807
1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one
CID 138958786
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one
CID 2102296
1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
CID 2966544
(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol
CID 41324154
4-[[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]amino]cyclohexane-1-carboxylic acid
CID 122031136
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
CID 55066785
N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide
CID 94678482
(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
CID 6591054

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-N-methylcyclohexane-1-carboxamide (CID 166238845) is 4-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-N-methylcyclohexane-1-carboxamide is CNC(=O)C1CCC(NCC(O)COc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-N-methylcyclohexane-1-carboxamide?
The InChIKey is VYNUXZUQKCXJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-21(2,3)16-7-11-19(12-8-16)26-14-18(24)13-23-17-9-5-15(6-10-17)20(25)22-4/h7-8,11-12,15,17-18,23-24H,5-6,9-10,13-14H2,1-4H3,(H,22,25).
What are the key properties of 4-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-N-methylcyclohexane-1-carboxamide?
4-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-N-methylcyclohexane-1-carboxamide has a molecular weight of 362.51 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-tert-butylphenoxy)-2-hydroxypropyl]amino]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 166238845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).