2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide

C16H25N3O — CID 108992892

IUPAC2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNC2CC2)c(C)c1
InChIInChI=1S/C16H25N3O/c1-4-19(5-2)14-8-9-15(12(3)10-14)18-16(20)11-17-13-6-7-13/h8-10,13,17H,4-7,11H2,1-3H3,(H,18,20)
InChIKeyBJFQPYNBBUWZHT-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.53
Rot. Bonds7

About 2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide

2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide (PubChem CID 108992892) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
PubChem CID108992892
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CNC2CC2)c(C)c1
InChIInChI=1S/C16H25N3O/c1-4-19(5-2)14-8-9-15(12(3)10-14)18-16(20)11-17-13-6-7-13/h8-10,13,17H,4-7,11H2,1-3H3,(H,18,20)
InChIKeyBJFQPYNBBUWZHT-UHFFFAOYSA-N
XLogP2.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)-2-methylphenyl]-3-[(1,1-dioxothiolan-3-yl)amino]propanamide
CID 109026566
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide
CID 837088
ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001689
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide
CID 113001639
N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007443
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide
CID 113001640
3-[acetyl(cyclohexyl)amino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113116691
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide (CID 108992892) is 2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide is CCN(CC)c1ccc(NC(=O)CNC2CC2)c(C)c1.
What is the InChIKey of 2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide?
The InChIKey is BJFQPYNBBUWZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-19(5-2)14-8-9-15(12(3)10-14)18-16(20)11-17-13-6-7-13/h8-10,13,17H,4-7,11H2,1-3H3,(H,18,20).
What are the key properties of 2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide?
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide is sourced from PubChem (CID 108992892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).