2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide

C15H25N3O — CID 60853749

IUPAC2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide
SMILESCCC(C)NCC(=O)Nc1ccc(N(C)C)cc1C
InChIInChI=1S/C15H25N3O/c1-6-12(3)16-10-15(19)17-14-8-7-13(18(4)5)9-11(14)2/h7-9,12,16H,6,10H2,1-5H3,(H,17,19)
InChIKeyPPFGYVXMSLJQPZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.39
Rot. Bonds6

About 2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide

2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide (PubChem CID 60853749) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide
PubChem CID60853749
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide
SMILESCCC(C)NCC(=O)Nc1ccc(N(C)C)cc1C
InChIInChI=1S/C15H25N3O/c1-6-12(3)16-10-15(19)17-14-8-7-13(18(4)5)9-11(14)2/h7-9,12,16H,6,10H2,1-5H3,(H,17,19)
InChIKeyPPFGYVXMSLJQPZ-UHFFFAOYSA-N
XLogP2.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.39
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

2-(butan-2-ylamino)-N-[3-(dimethylamino)phenyl]acetamide
CID 115376908
(2S)-2-amino-N-[4-(dimethylamino)-2-methylphenyl]butanamide
CID 79025228
2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide
CID 43696996
2-(butan-2-ylamino)-N-(2-fluoro-4-methylphenyl)acetamide
CID 60646943
N-[4-(dimethylamino)-2-methylphenyl]-2-methoxypropanamide
CID 47308010
(2S)-2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide
CID 61156017
2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide
CID 43700591
N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide
CID 54917740
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)acetamide
CID 21430532
(2S)-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194479
N-[4-(dimethylamino)-2-methylphenyl]-2-(ethylamino)-2-methylpropanamide
CID 62833572
2-amino-N-[4-(dimethylamino)-2-methylphenyl]-2-methylbutanamide
CID 79797795

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide (CID 60853749) is 2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide is CCC(C)NCC(=O)Nc1ccc(N(C)C)cc1C.
What is the InChIKey of 2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide?
The InChIKey is PPFGYVXMSLJQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-6-12(3)16-10-15(19)17-14-8-7-13(18(4)5)9-11(14)2/h7-9,12,16H,6,10H2,1-5H3,(H,17,19).
What are the key properties of 2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide?
2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide has a molecular weight of 263.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[4-(dimethylamino)-2-methylphenyl]acetamide is sourced from PubChem (CID 60853749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).