3-amino-N-(3-butan-2-yloxyphenyl)cyclohexane-1-carboxamide

C17H26N2O2 — CID 63044900

IUPAC3-amino-N-(3-butan-2-yloxyphenyl)cyclohexane-1-carboxamide
SMILESCCC(C)Oc1cccc(NC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C17H26N2O2/c1-3-12(2)21-16-9-5-8-15(11-16)19-17(20)13-6-4-7-14(18)10-13/h5,8-9,11-14H,3-4,6-7,10,18H2,1-2H3,(H,19,20)
InChIKeyIPHUIBFVDPYOHS-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.32
Rot. Bonds5

About 3-amino-N-(3-butan-2-yloxyphenyl)cyclohexane-1-carboxamide

3-amino-N-(3-butan-2-yloxyphenyl)cyclohexane-1-carboxamide (PubChem CID 63044900) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-N-(3-butan-2-yloxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-butan-2-yloxyphenyl)cyclohexane-1-carboxamide
PubChem CID63044900
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-amino-N-(3-butan-2-yloxyphenyl)cyclohexane-1-carboxamide
SMILESCCC(C)Oc1cccc(NC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C17H26N2O2/c1-3-12(2)21-16-9-5-8-15(11-16)19-17(20)13-6-4-7-14(18)10-13/h5,8-9,11-14H,3-4,6-7,10,18H2,1-2H3,(H,19,20)
InChIKeyIPHUIBFVDPYOHS-UHFFFAOYSA-N
XLogP3.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119708471
3-amino-N-(3-phenoxyphenyl)cyclohexane-1-carboxamide
CID 119673239
3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119808982
3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide
CID 63044296
3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 119884838
3-amino-N-[3-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119707736
3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119790385
3-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 63043411
3-amino-N-(3-butan-2-yloxyphenyl)-3-sulfanylidenepropanamide
CID 62329104
3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide
CID 63042853
cis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 154915202
3-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]benzamide
CID 119779656

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-butan-2-yloxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-butan-2-yloxyphenyl)cyclohexane-1-carboxamide (CID 63044900) is 3-amino-N-(3-butan-2-yloxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-butan-2-yloxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-butan-2-yloxyphenyl)cyclohexane-1-carboxamide is CCC(C)Oc1cccc(NC(=O)C2CCCC(N)C2)c1.
What is the InChIKey of 3-amino-N-(3-butan-2-yloxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is IPHUIBFVDPYOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-12(2)21-16-9-5-8-15(11-16)19-17(20)13-6-4-7-14(18)10-13/h5,8-9,11-14H,3-4,6-7,10,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-(3-butan-2-yloxyphenyl)cyclohexane-1-carboxamide?
3-amino-N-(3-butan-2-yloxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-butan-2-yloxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63044900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).