N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide

C23H34N2O2 — CID 131926281

IUPACN-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)C1(N2CCCC2)CCCCC1
InChIInChI=1S/C23H34N2O2/c26-21(23(11-5-2-6-12-23)25-15-7-8-16-25)24-19-22(13-17-27-18-14-22)20-9-3-1-4-10-20/h1,3-4,9-10H,2,5-8,11-19H2,(H,24,26)
InChIKeyFPHPYVPAAHLCRB-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.65
Rot. Bonds5

About N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide

N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide (PubChem CID 131926281) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
PubChem CID131926281
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC NameN-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)C1(N2CCCC2)CCCCC1
InChIInChI=1S/C23H34N2O2/c26-21(23(11-5-2-6-12-23)25-15-7-8-16-25)24-19-22(13-17-27-18-14-22)20-9-3-1-4-10-20/h1,3-4,9-10H,2,5-8,11-19H2,(H,24,26)
InChIKeyFPHPYVPAAHLCRB-UHFFFAOYSA-N
XLogP3.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 119293535
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
(2S)-N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide
CID 755199
4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide
CID 120920461
N-[(4-phenyloxan-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide;hydrochloride
CID 44828372
2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 111430576
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296
4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide
CID 120920624
1-morpholin-4-yl-N-[(5-phenylfuran-2-yl)methyl]cyclohexane-1-carboxamide
CID 118766127
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 75538689
4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100542760
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide (CID 131926281) is N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide is O=C(NCC1(c2ccccc2)CCOCC1)C1(N2CCCC2)CCCCC1.
What is the InChIKey of N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The InChIKey is FPHPYVPAAHLCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c26-21(23(11-5-2-6-12-23)25-15-7-8-16-25)24-19-22(13-17-27-18-14-22)20-9-3-1-4-10-20/h1,3-4,9-10H,2,5-8,11-19H2,(H,24,26).
What are the key properties of N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 131926281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).