3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide

C14H22N2O2 — CID 82070404

IUPAC3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide
SMILESCC(C)COc1ccc(C(=O)NC(C)C)cc1N
InChIInChI=1S/C14H22N2O2/c1-9(2)8-18-13-6-5-11(7-12(13)15)14(17)16-10(3)4/h5-7,9-10H,8,15H2,1-4H3,(H,16,17)
InChIKeyKWCMHPCCYCABRJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.44
Rot. Bonds5

About 3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide

3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide (PubChem CID 82070404) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide
PubChem CID82070404
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide
SMILESCC(C)COc1ccc(C(=O)NC(C)C)cc1N
InChIInChI=1S/C14H22N2O2/c1-9(2)8-18-13-6-5-11(7-12(13)15)14(17)16-10(3)4/h5-7,9-10H,8,15H2,1-4H3,(H,16,17)
InChIKeyKWCMHPCCYCABRJ-UHFFFAOYSA-N
XLogP2.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.44
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-N-(3-methylbutyl)-4-(2-methylpropoxy)benzamide
CID 82070423
3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide
CID 82070419
3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 82070469
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide
CID 82152722
ethyl 2-[(3-amino-4-ethoxybenzoyl)amino]propanoate
CID 61498178
(2R)-2-[[3-methoxy-4-(2-methylpropoxy)benzoyl]amino]propanoic acid
CID 119369773
methyl 2-[(3-amino-4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 61095584
3-amino-4-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65050177
3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide
CID 106446783
2-[(3-amino-4-propoxybenzoyl)amino]-3-hydroxybutanoic acid
CID 110496619
3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide
CID 61476191
4-methyl-3-(2-methylpropoxy)benzohydrazide
CID 163359289

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide?
The IUPAC name of 3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide (CID 82070404) is 3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide is CC(C)COc1ccc(C(=O)NC(C)C)cc1N.
What is the InChIKey of 3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide?
The InChIKey is KWCMHPCCYCABRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)8-18-13-6-5-11(7-12(13)15)14(17)16-10(3)4/h5-7,9-10H,8,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide?
3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide is sourced from PubChem (CID 82070404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).