N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methoxyphenyl)-2-(propan-2-ylamino)acetamide

C19H30N2O3 — CID 126826422

IUPACN-[4-(hydroxymethyl)cyclohexyl]-2-(4-methoxyphenyl)-2-(propan-2-ylamino)acetamide
SMILESCOc1ccc(C(NC(C)C)C(=O)NC2CCC(CO)CC2)cc1
InChIInChI=1S/C19H30N2O3/c1-13(2)20-18(15-6-10-17(24-3)11-7-15)19(23)21-16-8-4-14(12-22)5-9-16/h6-7,10-11,13-14,16,18,20,22H,4-5,8-9,12H2,1-3H3,(H,21,23)
InChIKeyUKHWZCSLAFMVIK-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.40
Rot. Bonds7

About N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methoxyphenyl)-2-(propan-2-ylamino)acetamide

N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methoxyphenyl)-2-(propan-2-ylamino)acetamide (PubChem CID 126826422) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methoxyphenyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)cyclohexyl]-2-(4-methoxyphenyl)-2-(propan-2-ylamino)acetamide
PubChem CID126826422
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-[4-(hydroxymethyl)cyclohexyl]-2-(4-methoxyphenyl)-2-(propan-2-ylamino)acetamide
SMILESCOc1ccc(C(NC(C)C)C(=O)NC2CCC(CO)CC2)cc1
InChIInChI=1S/C19H30N2O3/c1-13(2)20-18(15-6-10-17(24-3)11-7-15)19(23)21-16-8-4-14(12-22)5-9-16/h6-7,10-11,13-14,16,18,20,22H,4-5,8-9,12H2,1-3H3,(H,21,23)
InChIKeyUKHWZCSLAFMVIK-UHFFFAOYSA-N
XLogP2.40
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(4-methoxyphenyl)-3-methylbutanamide
CID 110316904
N-cyclopropyl-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propanamide
CID 115575469
(2S,3R)-N-cyclopentyl-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide
CID 96538154
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
(2S)-N-(4-methoxycyclohexyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 163313623
N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride
CID 119477343
N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119478209
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8793180
2-(4-methoxyphenoxy)-N-(4-methylcyclohexyl)propanamide
CID 51326792
2-(2,3-dimethylpentanoylamino)-2-(4-methoxyphenyl)acetic acid
CID 120530355
2-(cyclohexylamino)-2-(4-methoxyphenyl)acetic acid
CID 54892880
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7507003

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methoxyphenyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methoxyphenyl)-2-(propan-2-ylamino)acetamide (CID 126826422) is N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methoxyphenyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methoxyphenyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methoxyphenyl)-2-(propan-2-ylamino)acetamide is COc1ccc(C(NC(C)C)C(=O)NC2CCC(CO)CC2)cc1.
What is the InChIKey of N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methoxyphenyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is UKHWZCSLAFMVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-13(2)20-18(15-6-10-17(24-3)11-7-15)19(23)21-16-8-4-14(12-22)5-9-16/h6-7,10-11,13-14,16,18,20,22H,4-5,8-9,12H2,1-3H3,(H,21,23).
What are the key properties of N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methoxyphenyl)-2-(propan-2-ylamino)acetamide?
N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methoxyphenyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 334.46 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methoxyphenyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 126826422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).