3-(cyclopropylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide

C17H27N3O — CID 60938684

IUPAC3-(cyclopropylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)CCNC1CC1
InChIInChI=1S/C17H27N3O/c1-4-20(17(21)11-12-18-15-7-8-15)13-14-5-9-16(10-6-14)19(2)3/h5-6,9-10,15,18H,4,7-8,11-13H2,1-3H3
InChIKeyVTXVKFJCFJBIIA-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.24
Rot. Bonds8

About 3-(cyclopropylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide

3-(cyclopropylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide (PubChem CID 60938684) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
PubChem CID60938684
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-(cyclopropylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)CCNC1CC1
InChIInChI=1S/C17H27N3O/c1-4-20(17(21)11-12-18-15-7-8-15)13-14-5-9-16(10-6-14)19(2)3/h5-6,9-10,15,18H,4,7-8,11-13H2,1-3H3
InChIKeyVTXVKFJCFJBIIA-UHFFFAOYSA-N
XLogP2.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54875070
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide
CID 79191359
3-[3-(cyclopropylamino)propanoyl-ethylamino]propanoic acid
CID 62328828
3-[(4-aminocyclohexyl)amino]-N,N-diethylpropanamide
CID 79731374
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide
CID 61365242
N-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 60937202
N-(2-amino-2-oxoethyl)-3-(cyclopropylamino)-N-ethylpropanamide
CID 103101974
2-(cyclopropylamino)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 54872668
N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpiperidine-4-carboxamide
CID 60939526
3-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60954282
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 60682717
3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109013731

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide (CID 60938684) is 3-(cyclopropylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide is CCN(Cc1ccc(N(C)C)cc1)C(=O)CCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide?
The InChIKey is VTXVKFJCFJBIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-20(17(21)11-12-18-15-7-8-15)13-14-5-9-16(10-6-14)19(2)3/h5-6,9-10,15,18H,4,7-8,11-13H2,1-3H3.
What are the key properties of 3-(cyclopropylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide?
3-(cyclopropylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide is sourced from PubChem (CID 60938684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).