2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide

C15H22N2O2 — CID 115413065

IUPAC2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(CC2CC2)C(C)C)c(N)c1
InChIInChI=1S/C15H22N2O2/c1-10(2)17(9-11-4-5-11)15(18)13-7-6-12(19-3)8-14(13)16/h6-8,10-11H,4-5,9,16H2,1-3H3
InChIKeyWPLYJUFYEIMGFV-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.54
Rot. Bonds5

About 2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide

2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide (PubChem CID 115413065) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide
PubChem CID115413065
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(CC2CC2)C(C)C)c(N)c1
InChIInChI=1S/C15H22N2O2/c1-10(2)17(9-11-4-5-11)15(18)13-7-6-12(19-3)8-14(13)16/h6-8,10-11H,4-5,9,16H2,1-3H3
InChIKeyWPLYJUFYEIMGFV-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'}

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Related Compounds

N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide
CID 54945861
2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 79722133
5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide
CID 55001132
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54945824
5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide
CID 55001664
N-(2-amino-4-methoxyphenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide
CID 63954097
2-[cyclopropylmethyl(propan-2-yl)amino]-4-methoxybenzoic acid
CID 81305400
2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 113305134
2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide
CID 115412843
2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide
CID 54878406
2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide
CID 113475265
2-amino-N-(cyclopropylmethyl)-3-fluoro-N-propan-2-ylbenzamide
CID 62662646

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of 2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide (CID 115413065) is 2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for 2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide is COc1ccc(C(=O)N(CC2CC2)C(C)C)c(N)c1.
What is the InChIKey of 2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide?
The InChIKey is WPLYJUFYEIMGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)17(9-11-4-5-11)15(18)13-7-6-12(19-3)8-14(13)16/h6-8,10-11H,4-5,9,16H2,1-3H3.
What are the key properties of 2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide?
2-amino-N-(cyclopropylmethyl)-4-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 2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 115413065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).