N-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide

C18H25NO2 — CID 64929111

IUPACN-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
SMILESO=C(NCC1CCCCC1O)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H25NO2/c20-16-10-5-4-7-14(16)13-19-17(21)18(11-6-12-18)15-8-2-1-3-9-15/h1-3,8-9,14,16,20H,4-7,10-13H2,(H,19,21)
InChIKeyVVMVRNVHZNFAMJ-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.78
Rot. Bonds4

About N-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide

N-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide (PubChem CID 64929111) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
PubChem CID64929111
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
SMILESO=C(NCC1CCCCC1O)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H25NO2/c20-16-10-5-4-7-14(16)13-19-17(21)18(11-6-12-18)15-8-2-1-3-9-15/h1-3,8-9,14,16,20H,4-7,10-13H2,(H,19,21)
InChIKeyVVMVRNVHZNFAMJ-UHFFFAOYSA-N
XLogP2.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-phenylcyclobutane-1-carboxamide
CID 34832176
1-amino-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
CID 81168615
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-phenyloxane-4-carboxamide
CID 163049358
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-phenyloxane-4-carboxamide
CID 125321723
N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 111471238
N-[(1-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64865922
1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
CID 115448612
N-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 106124685
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide
CID 3502892
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117
1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide
CID 24669113

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide (CID 64929111) is N-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide is O=C(NCC1CCCCC1O)C1(c2ccccc2)CCC1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide?
The InChIKey is VVMVRNVHZNFAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c20-16-10-5-4-7-14(16)13-19-17(21)18(11-6-12-18)15-8-2-1-3-9-15/h1-3,8-9,14,16,20H,4-7,10-13H2,(H,19,21).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide has a molecular weight of 287.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 64929111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).