N-tert-butyl-3-[4-(diethylamino)-2-methylanilino]propanamide

C18H31N3O — CID 109031413

IUPACN-tert-butyl-3-[4-(diethylamino)-2-methylanilino]propanamide
SMILESCCN(CC)c1ccc(NCCC(=O)NC(C)(C)C)c(C)c1
InChIInChI=1S/C18H31N3O/c1-7-21(8-2)15-9-10-16(14(3)13-15)19-12-11-17(22)20-18(4,5)6/h9-10,13,19H,7-8,11-12H2,1-6H3,(H,20,22)
InChIKeyVBDPOICPCDOGDY-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.56
Rot. Bonds7

About N-tert-butyl-3-[4-(diethylamino)-2-methylanilino]propanamide

N-tert-butyl-3-[4-(diethylamino)-2-methylanilino]propanamide (PubChem CID 109031413) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is N-tert-butyl-3-[4-(diethylamino)-2-methylanilino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[4-(diethylamino)-2-methylanilino]propanamide
PubChem CID109031413
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC NameN-tert-butyl-3-[4-(diethylamino)-2-methylanilino]propanamide
SMILESCCN(CC)c1ccc(NCCC(=O)NC(C)(C)C)c(C)c1
InChIInChI=1S/C18H31N3O/c1-7-21(8-2)15-9-10-16(14(3)13-15)19-12-11-17(22)20-18(4,5)6/h9-10,13,19H,7-8,11-12H2,1-6H3,(H,20,22)
InChIKeyVBDPOICPCDOGDY-UHFFFAOYSA-N
XLogP3.56
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.56
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

3-[4-(diethylamino)-2-methylanilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109040830
3-[4-(diethylamino)-2-methylanilino]-N-(2,3-dimethylphenyl)propanamide
CID 109036004
N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide
CID 109038169
2-[4-(diethylamino)-2-methylanilino]ethanol
CID 67897103
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide
CID 109039466
ethyl 4-[3-[4-(diethylamino)-2-methylanilino]propanoyl]piperazine-1-carboxylate
CID 109029114
3-(3-acetamidoanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109041180
N-[4-(diethylamino)-2-methylphenyl]-3-(3-fluoroanilino)propanamide
CID 109042083
methyl 4-[[3-[4-(diethylamino)-2-methylanilino]-3-oxopropyl]amino]benzoate
CID 109041546
2-[4-(diethylamino)-2-methylanilino]-N-[2-(dimethylamino)ethyl]acetamide
CID 108994734
tert-butyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001690

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[4-(diethylamino)-2-methylanilino]propanamide?
The IUPAC name of N-tert-butyl-3-[4-(diethylamino)-2-methylanilino]propanamide (CID 109031413) is N-tert-butyl-3-[4-(diethylamino)-2-methylanilino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[4-(diethylamino)-2-methylanilino]propanamide?
The canonical SMILES for N-tert-butyl-3-[4-(diethylamino)-2-methylanilino]propanamide is CCN(CC)c1ccc(NCCC(=O)NC(C)(C)C)c(C)c1.
What is the InChIKey of N-tert-butyl-3-[4-(diethylamino)-2-methylanilino]propanamide?
The InChIKey is VBDPOICPCDOGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-7-21(8-2)15-9-10-16(14(3)13-15)19-12-11-17(22)20-18(4,5)6/h9-10,13,19H,7-8,11-12H2,1-6H3,(H,20,22).
What are the key properties of N-tert-butyl-3-[4-(diethylamino)-2-methylanilino]propanamide?
N-tert-butyl-3-[4-(diethylamino)-2-methylanilino]propanamide has a molecular weight of 305.47 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[4-(diethylamino)-2-methylanilino]propanamide is sourced from PubChem (CID 109031413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).