3-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]propanamide

C17H29N3O — CID 109016257

IUPAC3-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CCNc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29N3O/c1-17(2,3)14-6-8-15(9-7-14)18-11-10-16(21)19-12-13-20(4)5/h6-9,18H,10-13H2,1-5H3,(H,19,21)
InChIKeyFJGUVPYYQOYAKT-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.46
Rot. Bonds7

About 3-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]propanamide

3-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 109016257) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID109016257
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CCNc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29N3O/c1-17(2,3)14-6-8-15(9-7-14)18-11-10-16(21)19-12-13-20(4)5/h6-9,18H,10-13H2,1-5H3,(H,19,21)
InChIKeyFJGUVPYYQOYAKT-UHFFFAOYSA-N
XLogP2.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide
CID 109016275
3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016336
N-(4-tert-butylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
CID 109016434
3-(4-tert-butylanilino)-N,N-dimethylpropanamide
CID 54879290
3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019825
3-(4-tert-butylanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 109021704
N-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109016988
N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109016992
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994738
(4-tert-butylphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate
CID 170086914
N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185555
3-[2-chloro-5-(trifluoromethyl)anilino]-N-[3-(dimethylamino)propyl]propanamide
CID 109016986

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]propanamide (CID 109016257) is 3-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]propanamide is CN(C)CCNC(=O)CCNc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is FJGUVPYYQOYAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-17(2,3)14-6-8-15(9-7-14)18-11-10-16(21)19-12-13-20(4)5/h6-9,18H,10-13H2,1-5H3,(H,19,21).
What are the key properties of 3-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
3-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 291.44 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 109016257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).