4-amino-N-[2-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide

C17H26N2O2 — CID 60928509

IUPAC4-amino-N-[2-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
SMILESCC(C)COc1ccccc1NC(=O)C1CCC(N)CC1
InChIInChI=1S/C17H26N2O2/c1-12(2)11-21-16-6-4-3-5-15(16)19-17(20)13-7-9-14(18)10-8-13/h3-6,12-14H,7-11,18H2,1-2H3,(H,19,20)
InChIKeyUHDXUZJRDBFYOE-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.18
Rot. Bonds5

About 4-amino-N-[2-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide

4-amino-N-[2-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide (PubChem CID 60928509) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-amino-N-[2-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
PubChem CID60928509
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-amino-N-[2-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide
SMILESCC(C)COc1ccccc1NC(=O)C1CCC(N)CC1
InChIInChI=1S/C17H26N2O2/c1-12(2)11-21-16-6-4-3-5-15(16)19-17(20)13-7-9-14(18)10-8-13/h3-6,12-14H,7-11,18H2,1-2H3,(H,19,20)
InChIKeyUHDXUZJRDBFYOE-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide
CID 93360502
N-[5-acetyl-2-(2-methylpropoxy)phenyl]cyclopropanecarboxamide
CID 82156444
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
2-amino-2-cyclopropyl-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 60928638
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
CID 79527313
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074225
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256
2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide
CID 55125784
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578
4-amino-N-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 60847748

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide (CID 60928509) is 4-amino-N-[2-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide is CC(C)COc1ccccc1NC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-[2-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide?
The InChIKey is UHDXUZJRDBFYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)11-21-16-6-4-3-5-15(16)19-17(20)13-7-9-14(18)10-8-13/h3-6,12-14H,7-11,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-N-[2-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide?
4-amino-N-[2-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-methylpropoxy)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 60928509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).