3-amino-N-[(2-phenyloxan-3-yl)methyl]cyclohexane-1-carboxamide

C19H28N2O2 — CID 119741497

IUPAC3-amino-N-[(2-phenyloxan-3-yl)methyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC2CCCOC2c2ccccc2)C1
InChIInChI=1S/C19H28N2O2/c20-17-10-4-8-15(12-17)19(22)21-13-16-9-5-11-23-18(16)14-6-2-1-3-7-14/h1-3,6-7,15-18H,4-5,8-13,20H2,(H,21,22)
InChIKeyUCUQIGYODXOPDM-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.79
Rot. Bonds4

About 3-amino-N-[(2-phenyloxan-3-yl)methyl]cyclohexane-1-carboxamide

3-amino-N-[(2-phenyloxan-3-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 119741497) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-amino-N-[(2-phenyloxan-3-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-phenyloxan-3-yl)methyl]cyclohexane-1-carboxamide
PubChem CID119741497
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name3-amino-N-[(2-phenyloxan-3-yl)methyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)NCC2CCCOC2c2ccccc2)C1
InChIInChI=1S/C19H28N2O2/c20-17-10-4-8-15(12-17)19(22)21-13-16-9-5-11-23-18(16)14-6-2-1-3-7-14/h1-3,6-7,15-18H,4-5,8-13,20H2,(H,21,22)
InChIKeyUCUQIGYODXOPDM-UHFFFAOYSA-N
XLogP2.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-[(2-phenyloxan-3-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120624612
3-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119819562
1-ethylsulfonyl-N-[(2-phenyloxan-3-yl)methyl]piperidine-3-carboxamide
CID 47742934
3-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120701748
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
cis-(1S,2R)-2-[[(2R,3S)-2-phenyloxolan-3-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 129402634
4-cyclopentyloxy-N-[(2-phenyloxan-3-yl)methyl]benzamide
CID 86843823
N-[(2-phenyloxan-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 47076950
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide
CID 119794651
3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798267
cis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide
CID 74246620
3-amino-N-[(4-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 106135746

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-phenyloxan-3-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[(2-phenyloxan-3-yl)methyl]cyclohexane-1-carboxamide (CID 119741497) is 3-amino-N-[(2-phenyloxan-3-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-phenyloxan-3-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(2-phenyloxan-3-yl)methyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)NCC2CCCOC2c2ccccc2)C1.
What is the InChIKey of 3-amino-N-[(2-phenyloxan-3-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is UCUQIGYODXOPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c20-17-10-4-8-15(12-17)19(22)21-13-16-9-5-11-23-18(16)14-6-2-1-3-7-14/h1-3,6-7,15-18H,4-5,8-13,20H2,(H,21,22).
What are the key properties of 3-amino-N-[(2-phenyloxan-3-yl)methyl]cyclohexane-1-carboxamide?
3-amino-N-[(2-phenyloxan-3-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-phenyloxan-3-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119741497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).