1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide

C19H28N2O3 — CID 119329322

IUPAC1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(OCC3CCOCC3)cc2)CCCCC1
InChIInChI=1S/C19H28N2O3/c20-19(10-2-1-3-11-19)18(22)21-16-4-6-17(7-5-16)24-14-15-8-12-23-13-9-15/h4-7,15H,1-3,8-14,20H2,(H,21,22)
InChIKeyBRHBKOOFKIPHLR-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.09
Rot. Bonds5

About 1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide

1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide (PubChem CID 119329322) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide
PubChem CID119329322
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(OCC3CCOCC3)cc2)CCCCC1
InChIInChI=1S/C19H28N2O3/c20-19(10-2-1-3-11-19)18(22)21-16-4-6-17(7-5-16)24-14-15-8-12-23-13-9-15/h4-7,15H,1-3,8-14,20H2,(H,21,22)
InChIKeyBRHBKOOFKIPHLR-UHFFFAOYSA-N
XLogP3.09
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[4-(cyclopropylmethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119325257
1-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119283523
2-amino-2-(oxan-4-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
CID 120794059
2-(methylamino)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
CID 119793689
1-amino-N-(oxan-4-ylmethyl)cyclohexane-1-carboxamide
CID 63706981
4-[(1-aminocyclopentanecarbonyl)amino]-N-(oxan-4-yl)benzamide
CID 119338734
1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea
CID 71992090
1-amino-N-(4-cyclopentyloxyphenyl)cyclohexane-1-carboxamide
CID 119284690
4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide
CID 120562992
2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide
CID 164513641
9-amino-N-[4-(oxan-4-ylmethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990360
N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119329303

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide (CID 119329322) is 1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide is NC1(C(=O)Nc2ccc(OCC3CCOCC3)cc2)CCCCC1.
What is the InChIKey of 1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide?
The InChIKey is BRHBKOOFKIPHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c20-19(10-2-1-3-11-19)18(22)21-16-4-6-17(7-5-16)24-14-15-8-12-23-13-9-15/h4-7,15H,1-3,8-14,20H2,(H,21,22).
What are the key properties of 1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide?
1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119329322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).