4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide

C15H25N3O — CID 22692306

IUPAC4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
SMILESCCN(CC)c1ccc(NC(=O)CCCN)c(C)c1
InChIInChI=1S/C15H25N3O/c1-4-18(5-2)13-8-9-14(12(3)11-13)17-15(19)7-6-10-16/h8-9,11H,4-7,10,16H2,1-3H3,(H,17,19)
InChIKeyNMOUAWOZIWAABX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.52
Rot. Bonds7

About 4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide

4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide (PubChem CID 22692306) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
PubChem CID22692306
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
SMILESCCN(CC)c1ccc(NC(=O)CCCN)c(C)c1
InChIInChI=1S/C15H25N3O/c1-4-18(5-2)13-8-9-14(12(3)11-13)17-15(19)7-6-10-16/h8-9,11H,4-7,10,16H2,1-3H3,(H,17,19)
InChIKeyNMOUAWOZIWAABX-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.52
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-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide
CID 113001639
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N-[4-(diethylamino)-2-methylphenyl]-3-(prop-2-enylamino)propanamide
CID 109012165
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001689
N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide
CID 39193527
N-[4-(diethylamino)-2-methylphenyl]-3-(pyridin-4-ylmethylamino)propanamide
CID 109024075
(2S)-2-amino-N-[4-(diethylamino)-2-methylphenyl]-3-methylbutanamide
CID 22690785
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
N-[4-(diethylamino)-2-methylphenyl]-3-(2,6-dimethylphenyl)sulfonylpropanamide
CID 56603891
N-[4-(diethylamino)-2-methylphenyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109020065

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide?
The IUPAC name of 4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide (CID 22692306) is 4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide.
What is the SMILES notation for 4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide?
The canonical SMILES for 4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide is CCN(CC)c1ccc(NC(=O)CCCN)c(C)c1.
What is the InChIKey of 4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide?
The InChIKey is NMOUAWOZIWAABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-18(5-2)13-8-9-14(12(3)11-13)17-15(19)7-6-10-16/h8-9,11H,4-7,10,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide?
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide has a molecular weight of 263.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide is sourced from PubChem (CID 22692306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).