N-(4-tert-butylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide

C17H29N3O — CID 109016434

IUPACN-(4-tert-butylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
SMILESCN(C)CCNCCC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29N3O/c1-17(2,3)14-6-8-15(9-7-14)19-16(21)10-11-18-12-13-20(4)5/h6-9,18H,10-13H2,1-5H3,(H,19,21)
InChIKeyKRUUTHZRAPSKOD-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.46
Rot. Bonds7

About N-(4-tert-butylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide

N-(4-tert-butylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide (PubChem CID 109016434) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
PubChem CID109016434
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(4-tert-butylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
SMILESCN(C)CCNCCC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29N3O/c1-17(2,3)14-6-8-15(9-7-14)19-16(21)10-11-18-12-13-20(4)5/h6-9,18H,10-13H2,1-5H3,(H,19,21)
InChIKeyKRUUTHZRAPSKOD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
CID 109016465
3-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016257
N-(4-acetylphenyl)-3-[3-(dimethylamino)propylamino]propanamide
CID 109017139
4-(4-tert-butylanilino)-4-oxobutanoic acid
CID 670635
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325
N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185555
3-[acetyl(cyclopropyl)amino]-N-(4-tert-butylphenyl)propanamide
CID 113115426
3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109016422
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide
CID 17235324
N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
CID 173311186
N-(4-tert-butylphenyl)dodecanamide
CID 118504435
N-[4-[(dimethylamino)methyl]phenyl]-3-(ethylamino)propanamide
CID 62833947

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide (CID 109016434) is N-(4-tert-butylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide is CN(C)CCNCCC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide?
The InChIKey is KRUUTHZRAPSKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-17(2,3)14-6-8-15(9-7-14)19-16(21)10-11-18-12-13-20(4)5/h6-9,18H,10-13H2,1-5H3,(H,19,21).
What are the key properties of N-(4-tert-butylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide?
N-(4-tert-butylphenyl)-3-[2-(dimethylamino)ethylamino]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 N-(4-tert-butylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide is sourced from PubChem (CID 109016434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).