N-[1-(3-ethyl-3-hydroxycyclopentyl)prop-2-enyl]-4-(4-hydroxycyclohexyl)oxy-N-methylbenzamide

C24H35NO4 — CID 143553852

IUPACN-[1-(3-ethyl-3-hydroxycyclopentyl)prop-2-enyl]-4-(4-hydroxycyclohexyl)oxy-N-methylbenzamide
SMILESC=CC(C1CCC(O)(CC)C1)N(C)C(=O)c1ccc(OC2CCC(O)CC2)cc1
InChIInChI=1S/C24H35NO4/c1-4-22(18-14-15-24(28,5-2)16-18)25(3)23(27)17-6-10-20(11-7-17)29-21-12-8-19(26)9-13-21/h4,6-7,10-11,18-19,21-22,26,28H,1,5,8-9,12-16H2,2-3H3
InChIKeyIWDYJHITRQJQKQ-UHFFFAOYSA-N
MW401.55 g/mol
LogP3.94
Rot. Bonds7

About N-[1-(3-ethyl-3-hydroxycyclopentyl)prop-2-enyl]-4-(4-hydroxycyclohexyl)oxy-N-methylbenzamide

N-[1-(3-ethyl-3-hydroxycyclopentyl)prop-2-enyl]-4-(4-hydroxycyclohexyl)oxy-N-methylbenzamide (PubChem CID 143553852) has the molecular formula C24H35NO4 and a molecular weight of 401.55 g/mol. Its IUPAC name is N-[1-(3-ethyl-3-hydroxycyclopentyl)prop-2-enyl]-4-(4-hydroxycyclohexyl)oxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-3-hydroxycyclopentyl)prop-2-enyl]-4-(4-hydroxycyclohexyl)oxy-N-methylbenzamide
PubChem CID143553852
Molecular FormulaC24H35NO4
Molecular Weight401.55 g/mol
Exact Mass401.26
IUPAC NameN-[1-(3-ethyl-3-hydroxycyclopentyl)prop-2-enyl]-4-(4-hydroxycyclohexyl)oxy-N-methylbenzamide
SMILESC=CC(C1CCC(O)(CC)C1)N(C)C(=O)c1ccc(OC2CCC(O)CC2)cc1
InChIInChI=1S/C24H35NO4/c1-4-22(18-14-15-24(28,5-2)16-18)25(3)23(27)17-6-10-20(11-7-17)29-21-12-8-19(26)9-13-21/h4,6-7,10-11,18-19,21-22,26,28H,1,5,8-9,12-16H2,2-3H3
InChIKeyIWDYJHITRQJQKQ-UHFFFAOYSA-N
XLogP3.94
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(4-hydroxycyclohexyl)oxy-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-N-methylbenzamide
CID 71163730
4-[(1-hydroxy-4-methylcyclohexyl)methoxy]-N,N-dimethylbenzamide
CID 109416271
N-cyclopropyl-N-methyl-4-piperidin-4-yloxybenzamide
CID 143792433
2-[methyl-[4-(oxan-4-yloxy)benzoyl]amino]propanoic acid
CID 119209529
1-(4-cyclopropyloxyphenyl)-2-methylbutan-1-one
CID 114518839
4-cyclopentyloxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 109399951
ethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate
CID 79649236
1-(4-cyclopropyloxyphenyl)-2-hydroxypentan-1-one
CID 103454073
N-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide
CID 111464498
(1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone
CID 114520626
N-(dicyclopropylmethyl)-4-(methoxymethyl)-N-methylbenzamide
CID 49343358
1-(4-cyclopropyloxyphenyl)nonan-1-one
CID 115812846

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-3-hydroxycyclopentyl)prop-2-enyl]-4-(4-hydroxycyclohexyl)oxy-N-methylbenzamide?
The IUPAC name of N-[1-(3-ethyl-3-hydroxycyclopentyl)prop-2-enyl]-4-(4-hydroxycyclohexyl)oxy-N-methylbenzamide (CID 143553852) is N-[1-(3-ethyl-3-hydroxycyclopentyl)prop-2-enyl]-4-(4-hydroxycyclohexyl)oxy-N-methylbenzamide.
What is the SMILES notation for N-[1-(3-ethyl-3-hydroxycyclopentyl)prop-2-enyl]-4-(4-hydroxycyclohexyl)oxy-N-methylbenzamide?
The canonical SMILES for N-[1-(3-ethyl-3-hydroxycyclopentyl)prop-2-enyl]-4-(4-hydroxycyclohexyl)oxy-N-methylbenzamide is C=CC(C1CCC(O)(CC)C1)N(C)C(=O)c1ccc(OC2CCC(O)CC2)cc1.
What is the InChIKey of N-[1-(3-ethyl-3-hydroxycyclopentyl)prop-2-enyl]-4-(4-hydroxycyclohexyl)oxy-N-methylbenzamide?
The InChIKey is IWDYJHITRQJQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO4/c1-4-22(18-14-15-24(28,5-2)16-18)25(3)23(27)17-6-10-20(11-7-17)29-21-12-8-19(26)9-13-21/h4,6-7,10-11,18-19,21-22,26,28H,1,5,8-9,12-16H2,2-3H3.
What are the key properties of N-[1-(3-ethyl-3-hydroxycyclopentyl)prop-2-enyl]-4-(4-hydroxycyclohexyl)oxy-N-methylbenzamide?
N-[1-(3-ethyl-3-hydroxycyclopentyl)prop-2-enyl]-4-(4-hydroxycyclohexyl)oxy-N-methylbenzamide has a molecular weight of 401.55 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-3-hydroxycyclopentyl)prop-2-enyl]-4-(4-hydroxycyclohexyl)oxy-N-methylbenzamide is sourced from PubChem (CID 143553852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).