1-[(4-hydroxyphenyl)methyl]-N-[4-(methylamino)cyclohexyl]cyclopropane-1-carboxamide

C18H26N2O2 — CID 167949557

IUPAC1-[(4-hydroxyphenyl)methyl]-N-[4-(methylamino)cyclohexyl]cyclopropane-1-carboxamide
SMILESCNC1CCC(NC(=O)C2(Cc3ccc(O)cc3)CC2)CC1
InChIInChI=1S/C18H26N2O2/c1-19-14-4-6-15(7-5-14)20-17(22)18(10-11-18)12-13-2-8-16(21)9-3-13/h2-3,8-9,14-15,19,21H,4-7,10-12H2,1H3,(H,20,22)
InChIKeyXBTLEVHEDUCOGN-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.36
Rot. Bonds5

About 1-[(4-hydroxyphenyl)methyl]-N-[4-(methylamino)cyclohexyl]cyclopropane-1-carboxamide

1-[(4-hydroxyphenyl)methyl]-N-[4-(methylamino)cyclohexyl]cyclopropane-1-carboxamide (PubChem CID 167949557) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]-N-[4-(methylamino)cyclohexyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]-N-[4-(methylamino)cyclohexyl]cyclopropane-1-carboxamide
PubChem CID167949557
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[(4-hydroxyphenyl)methyl]-N-[4-(methylamino)cyclohexyl]cyclopropane-1-carboxamide
SMILESCNC1CCC(NC(=O)C2(Cc3ccc(O)cc3)CC2)CC1
InChIInChI=1S/C18H26N2O2/c1-19-14-4-6-15(7-5-14)20-17(22)18(10-11-18)12-13-2-8-16(21)9-3-13/h2-3,8-9,14-15,19,21H,4-7,10-12H2,1H3,(H,20,22)
InChIKeyXBTLEVHEDUCOGN-UHFFFAOYSA-N
XLogP2.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide
CID 119477938
tert-butyl 4-[[1-[(4-fluorophenyl)methyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 169209417
4-[[1-(methylamino)cyclopropyl]methyl]phenol
CID 83683246
N-cyclohexyl-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 110082796
N-[(3R)-oxan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 126813305
N-cyclobutyl-1-ethylcyclopropane-1-carboxamide
CID 130693550
N-(4-bromocyclohexyl)-1-ethylcyclopropane-1-carboxamide
CID 130553810
N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide
CID 79111056
N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503179
2-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 110463124
2-chloro-3-[[1-(cyclopropylcarbamoyl)cyclopropyl]methyl]-4-methylsulfonylbenzoyl chloride
CID 175542633
1-[(2-methoxyphenyl)methyl]-N-piperidin-4-ylcyclopropane-1-carboxamide
CID 169209440

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]-N-[4-(methylamino)cyclohexyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]-N-[4-(methylamino)cyclohexyl]cyclopropane-1-carboxamide (CID 167949557) is 1-[(4-hydroxyphenyl)methyl]-N-[4-(methylamino)cyclohexyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]-N-[4-(methylamino)cyclohexyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]-N-[4-(methylamino)cyclohexyl]cyclopropane-1-carboxamide is CNC1CCC(NC(=O)C2(Cc3ccc(O)cc3)CC2)CC1.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]-N-[4-(methylamino)cyclohexyl]cyclopropane-1-carboxamide?
The InChIKey is XBTLEVHEDUCOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-19-14-4-6-15(7-5-14)20-17(22)18(10-11-18)12-13-2-8-16(21)9-3-13/h2-3,8-9,14-15,19,21H,4-7,10-12H2,1H3,(H,20,22).
What are the key properties of 1-[(4-hydroxyphenyl)methyl]-N-[4-(methylamino)cyclohexyl]cyclopropane-1-carboxamide?
1-[(4-hydroxyphenyl)methyl]-N-[4-(methylamino)cyclohexyl]cyclopropane-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methyl]-N-[4-(methylamino)cyclohexyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 167949557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).