2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-cyclopropyl-N-ethylacetamide

C17H27N3O — CID 61488701

IUPAC2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN(Cc1ccccc1N)C(C)C)C1CC1
InChIInChI=1S/C17H27N3O/c1-4-20(15-9-10-15)17(21)12-19(13(2)3)11-14-7-5-6-8-16(14)18/h5-8,13,15H,4,9-12,18H2,1-3H3
InChIKeyVJRJQKPRMHBZKN-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.49
Rot. Bonds7

About 2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-cyclopropyl-N-ethylacetamide

2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-cyclopropyl-N-ethylacetamide (PubChem CID 61488701) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-cyclopropyl-N-ethylacetamide
PubChem CID61488701
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CN(Cc1ccccc1N)C(C)C)C1CC1
InChIInChI=1S/C17H27N3O/c1-4-20(15-9-10-15)17(21)12-19(13(2)3)11-14-7-5-6-8-16(14)18/h5-8,13,15H,4,9-12,18H2,1-3H3
InChIKeyVJRJQKPRMHBZKN-UHFFFAOYSA-N
XLogP2.49
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.49
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

2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-methylacetamide
CID 43460418
ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate
CID 43460945
2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropyl-N-ethylacetamide
CID 61488181
3-(2-aminophenyl)-N-cyclopentyl-N-ethylpropanamide
CID 43541570
N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide
CID 43460336
2-[2-(2-aminophenyl)ethoxy]-N-cyclopropyl-N-ethylacetamide
CID 102902326
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide
CID 55102715
N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(thian-4-yl)acetamide
CID 83136533
ethyl 2-[[2-(2-aminophenyl)acetyl]-cyclopropylamino]acetate
CID 61114412
2-[(2-aminophenyl)methyl-cyclopropylamino]-N-cyclopropyl-N-methylacetamide
CID 61489153
2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide
CID 43459417
1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
CID 62700033

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-cyclopropyl-N-ethylacetamide (CID 61488701) is 2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CN(Cc1ccccc1N)C(C)C)C1CC1.
What is the InChIKey of 2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is VJRJQKPRMHBZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-20(15-9-10-15)17(21)12-19(13(2)3)11-14-7-5-6-8-16(14)18/h5-8,13,15H,4,9-12,18H2,1-3H3.
What are the key properties of 2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-cyclopropyl-N-ethylacetamide?
2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 289.42 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 61488701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).