3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide

C18H21N3O2 — CID 100629829

IUPAC3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide
SMILESCCOc1ccc(Nc2ccc(C(=O)NC3CC3)cc2N)cc1
InChIInChI=1S/C18H21N3O2/c1-2-23-15-8-6-13(7-9-15)20-17-10-3-12(11-16(17)19)18(22)21-14-4-5-14/h3,6-11,14,20H,2,4-5,19H2,1H3,(H,21,22)
InChIKeyOLNSZSRVJYPEKX-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.30
Rot. Bonds6

About 3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide

3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide (PubChem CID 100629829) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide
PubChem CID100629829
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide
SMILESCCOc1ccc(Nc2ccc(C(=O)NC3CC3)cc2N)cc1
InChIInChI=1S/C18H21N3O2/c1-2-23-15-8-6-13(7-9-15)20-17-10-3-12(11-16(17)19)18(22)21-14-4-5-14/h3,6-11,14,20H,2,4-5,19H2,1H3,(H,21,22)
InChIKeyOLNSZSRVJYPEKX-UHFFFAOYSA-N
XLogP3.30
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-anilino-N-cyclopropylbenzamide
CID 84819042
3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide
CID 100630364
3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide
CID 100623628
3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide
CID 61089801
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
N-cyclopropyl-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 4785355
3-amino-4-[[(2R)-butan-2-yl]amino]-N-cyclopropylbenzamide
CID 100619856
3-amino-4-(3-ethoxyanilino)-N-methylbenzamide
CID 82991688
1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 29066421
N-cyclopentyl-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109182282
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide
CID 91687646

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide?
The IUPAC name of 3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide (CID 100629829) is 3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide?
The canonical SMILES for 3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide is CCOc1ccc(Nc2ccc(C(=O)NC3CC3)cc2N)cc1.
What is the InChIKey of 3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide?
The InChIKey is OLNSZSRVJYPEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-23-15-8-6-13(7-9-15)20-17-10-3-12(11-16(17)19)18(22)21-14-4-5-14/h3,6-11,14,20H,2,4-5,19H2,1H3,(H,21,22).
What are the key properties of 3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide?
3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide has a molecular weight of 311.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide is sourced from PubChem (CID 100629829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).