4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide

C16H25N3O2 — CID 81084171

IUPAC4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CC(C)CN)cc1
InChIInChI=1S/C16H25N3O2/c1-11(2)8-15(20)18-13-4-6-14(7-5-13)19-16(21)9-12(3)10-17/h4-7,11-12H,8-10,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyWVXBXTBGKASCBY-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.59
Rot. Bonds7

About 4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide

4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide (PubChem CID 81084171) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
PubChem CID81084171
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CC(C)CN)cc1
InChIInChI=1S/C16H25N3O2/c1-11(2)8-15(20)18-13-4-6-14(7-5-13)19-16(21)9-12(3)10-17/h4-7,11-12H,8-10,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyWVXBXTBGKASCBY-UHFFFAOYSA-N
XLogP2.59
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-ethylphenyl)-3-methylbutanamide
CID 81071859
4-amino-N-(4-cyanophenyl)-3-methylbutanamide
CID 81070999
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
4-amino-3-methyl-N-(1H-pyrrol-3-yl)butanamide
CID 115156226
4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide
CID 81070502
4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide
CID 81087317
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 119278741
4-amino-3-methyl-N-pyridin-3-ylbutanamide
CID 81070233
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide
CID 81075529
4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide
CID 81080925

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide?
The IUPAC name of 4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide (CID 81084171) is 4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide?
The canonical SMILES for 4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide is CC(C)CC(=O)Nc1ccc(NC(=O)CC(C)CN)cc1.
What is the InChIKey of 4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide?
The InChIKey is WVXBXTBGKASCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)8-15(20)18-13-4-6-14(7-5-13)19-16(21)9-12(3)10-17/h4-7,11-12H,8-10,17H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide?
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide has a molecular weight of 291.39 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide is sourced from PubChem (CID 81084171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).