5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide

C15H22N2O2 — CID 55001132

IUPAC5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(N)cc1C(=O)N(CC1CC1)C(C)C
InChIInChI=1S/C15H22N2O2/c1-10(2)17(9-11-4-5-11)15(18)13-8-12(16)6-7-14(13)19-3/h6-8,10-11H,4-5,9,16H2,1-3H3
InChIKeyPZRKJSOSWVQLEW-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.54
Rot. Bonds5

About 5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide

5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide (PubChem CID 55001132) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide
PubChem CID55001132
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(N)cc1C(=O)N(CC1CC1)C(C)C
InChIInChI=1S/C15H22N2O2/c1-10(2)17(9-11-4-5-11)15(18)13-8-12(16)6-7-14(13)19-3/h6-8,10-11H,4-5,9,16H2,1-3H3
InChIKeyPZRKJSOSWVQLEW-UHFFFAOYSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide
CID 55001664
2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 115413065
3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 54942821
N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide
CID 54945861
N-(5-amino-2-methoxyphenyl)-2-[cyclopropylmethyl(methyl)amino]propanamide
CID 60984612
5-amino-N-cyclopentyl-N-ethyl-2-methoxybenzamide
CID 61094826
2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 79722133
5-amino-N-ethyl-2-methoxy-N-methylbenzamide
CID 61094369
2-amino-N-(cyclopropylmethyl)-3-fluoro-N-propan-2-ylbenzamide
CID 62662646
5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide
CID 62921862
[2-(cyclopropylmethylamino)-2-oxoethyl] 5-amino-2-methoxybenzoate
CID 61321763
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54945824

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of 5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide (CID 55001132) is 5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for 5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide is COc1ccc(N)cc1C(=O)N(CC1CC1)C(C)C.
What is the InChIKey of 5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide?
The InChIKey is PZRKJSOSWVQLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)17(9-11-4-5-11)15(18)13-8-12(16)6-7-14(13)19-3/h6-8,10-11H,4-5,9,16H2,1-3H3.
What are the key properties of 5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide?
5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 55001132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).