3-amino-N-(3-methylcyclohexyl)-4-propan-2-yloxybenzamide

C17H26N2O2 — CID 43912271

IUPAC3-amino-N-(3-methylcyclohexyl)-4-propan-2-yloxybenzamide
SMILESCC1CCCC(NC(=O)c2ccc(OC(C)C)c(N)c2)C1
InChIInChI=1S/C17H26N2O2/c1-11(2)21-16-8-7-13(10-15(16)18)17(20)19-14-6-4-5-12(3)9-14/h7-8,10-12,14H,4-6,9,18H2,1-3H3,(H,19,20)
InChIKeyRPQPOLHQUYZQHB-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.36
Rot. Bonds4

About 3-amino-N-(3-methylcyclohexyl)-4-propan-2-yloxybenzamide

3-amino-N-(3-methylcyclohexyl)-4-propan-2-yloxybenzamide (PubChem CID 43912271) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-N-(3-methylcyclohexyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-amino-N-(3-methylcyclohexyl)-4-propan-2-yloxybenzamide
PubChem CID43912271
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-amino-N-(3-methylcyclohexyl)-4-propan-2-yloxybenzamide
SMILESCC1CCCC(NC(=O)c2ccc(OC(C)C)c(N)c2)C1
InChIInChI=1S/C17H26N2O2/c1-11(2)21-16-8-7-13(10-15(16)18)17(20)19-14-6-4-5-12(3)9-14/h7-8,10-12,14H,4-6,9,18H2,1-3H3,(H,19,20)
InChIKeyRPQPOLHQUYZQHB-UHFFFAOYSA-N
XLogP3.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 28690073
cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675150
2-amino-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 55042070
N-(3-methylcyclohexyl)-4-[4-[(3-methylcyclohexyl)carbamoyl]phenyl]benzamide
CID 66710031
tert-butyl 3-[(3-amino-4-propan-2-yloxybenzoyl)amino]pyrrolidine-1-carboxylate
CID 171933166
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
2-amino-4,5-dimethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide
CID 28689875
(3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone
CID 82152488
3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide
CID 113396124
2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 114325626
3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide
CID 82070507

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methylcyclohexyl)-4-propan-2-yloxybenzamide?
The IUPAC name of 3-amino-N-(3-methylcyclohexyl)-4-propan-2-yloxybenzamide (CID 43912271) is 3-amino-N-(3-methylcyclohexyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-amino-N-(3-methylcyclohexyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-amino-N-(3-methylcyclohexyl)-4-propan-2-yloxybenzamide is CC1CCCC(NC(=O)c2ccc(OC(C)C)c(N)c2)C1.
What is the InChIKey of 3-amino-N-(3-methylcyclohexyl)-4-propan-2-yloxybenzamide?
The InChIKey is RPQPOLHQUYZQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11(2)21-16-8-7-13(10-15(16)18)17(20)19-14-6-4-5-12(3)9-14/h7-8,10-12,14H,4-6,9,18H2,1-3H3,(H,19,20).
What are the key properties of 3-amino-N-(3-methylcyclohexyl)-4-propan-2-yloxybenzamide?
3-amino-N-(3-methylcyclohexyl)-4-propan-2-yloxybenzamide has a molecular weight of 290.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methylcyclohexyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 43912271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).