3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide

C16H26N2O — CID 104502518

IUPAC3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide
SMILESCC(CC(=O)N(C)CC(C)(C)C)c1ccc(N)cc1
InChIInChI=1S/C16H26N2O/c1-12(13-6-8-14(17)9-7-13)10-15(19)18(5)11-16(2,3)4/h6-9,12H,10-11,17H2,1-5H3
InChIKeyMFBUMEOJTCTNID-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.27
Rot. Bonds4

About 3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide

3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide (PubChem CID 104502518) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide
PubChem CID104502518
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide
SMILESCC(CC(=O)N(C)CC(C)(C)C)c1ccc(N)cc1
InChIInChI=1S/C16H26N2O/c1-12(13-6-8-14(17)9-7-13)10-15(19)18(5)11-16(2,3)4/h6-9,12H,10-11,17H2,1-5H3
InChIKeyMFBUMEOJTCTNID-UHFFFAOYSA-N
XLogP3.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide
CID 104502632
3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide
CID 104502633
3-(4-aminophenyl)-N-methyl-N-[2-(methylamino)ethyl]butanamide
CID 104502669
methyl 2-[3-(4-aminophenyl)butanoyl-methylamino]acetate
CID 104502315
3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide
CID 107199352
3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide
CID 104502770
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119655169
3-(4-aminophenyl)-N,N-dipropylbutanamide
CID 104501970
2-[3-(4-aminophenyl)butanoyl-(carboxymethyl)amino]acetic acid
CID 104502627
3-amino-N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950369
3-(4-aminophenyl)-N-(1-cyanopropan-2-yl)-N-methylbutanamide
CID 104502599
3-(4-aminophenyl)-N-(3-hydroxyphenyl)-N-methylbutanamide
CID 107734626

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide (CID 104502518) is 3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide is CC(CC(=O)N(C)CC(C)(C)C)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide?
The InChIKey is MFBUMEOJTCTNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(13-6-8-14(17)9-7-13)10-15(19)18(5)11-16(2,3)4/h6-9,12H,10-11,17H2,1-5H3.
What are the key properties of 3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide?
3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide is sourced from PubChem (CID 104502518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).