4-amino-2-[4-(dimethylamino)phenyl]-N-propan-2-ylbutanamide

C15H25N3O — CID 112517188

IUPAC4-amino-2-[4-(dimethylamino)phenyl]-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(CCN)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-11(2)17-15(19)14(9-10-16)12-5-7-13(8-6-12)18(3)4/h5-8,11,14H,9-10,16H2,1-4H3,(H,17,19)
InChIKeyGABFVMDKJKXKPD-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.71
Rot. Bonds6

About 4-amino-2-[4-(dimethylamino)phenyl]-N-propan-2-ylbutanamide

4-amino-2-[4-(dimethylamino)phenyl]-N-propan-2-ylbutanamide (PubChem CID 112517188) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-amino-2-[4-(dimethylamino)phenyl]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-amino-2-[4-(dimethylamino)phenyl]-N-propan-2-ylbutanamide
PubChem CID112517188
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-amino-2-[4-(dimethylamino)phenyl]-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(CCN)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-11(2)17-15(19)14(9-10-16)12-5-7-13(8-6-12)18(3)4/h5-8,11,14H,9-10,16H2,1-4H3,(H,17,19)
InChIKeyGABFVMDKJKXKPD-UHFFFAOYSA-N
XLogP1.71
TPSA58.36 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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-propan-2-yl-2-(4-propan-2-ylphenyl)butanamide
CID 112516984
5-chloro-2-[4-(dimethylamino)phenyl]pentanehydrazide
CID 67067303
N'-[1-[4-(dimethylamino)phenyl]ethyl]-N'-methylethane-1,2-diamine
CID 62682189
3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide
CID 60667878
4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040
4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)butanamide
CID 112516304
1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine
CID 62066969
4-amino-2-methyl-N-propan-2-ylbutanamide
CID 80541541
4-amino-N-(2-methylpropyl)-2-phenylbutanamide
CID 112515492
5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide
CID 104684743
N-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide
CID 104877065
4-(1-aminopropan-2-yl)-N,N-dimethylaniline
CID 60965190

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[4-(dimethylamino)phenyl]-N-propan-2-ylbutanamide?
The IUPAC name of 4-amino-2-[4-(dimethylamino)phenyl]-N-propan-2-ylbutanamide (CID 112517188) is 4-amino-2-[4-(dimethylamino)phenyl]-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-amino-2-[4-(dimethylamino)phenyl]-N-propan-2-ylbutanamide?
The canonical SMILES for 4-amino-2-[4-(dimethylamino)phenyl]-N-propan-2-ylbutanamide is CC(C)NC(=O)C(CCN)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-amino-2-[4-(dimethylamino)phenyl]-N-propan-2-ylbutanamide?
The InChIKey is GABFVMDKJKXKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)17-15(19)14(9-10-16)12-5-7-13(8-6-12)18(3)4/h5-8,11,14H,9-10,16H2,1-4H3,(H,17,19).
What are the key properties of 4-amino-2-[4-(dimethylamino)phenyl]-N-propan-2-ylbutanamide?
4-amino-2-[4-(dimethylamino)phenyl]-N-propan-2-ylbutanamide has a molecular weight of 263.38 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[4-(dimethylamino)phenyl]-N-propan-2-ylbutanamide is sourced from PubChem (CID 112517188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).