2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide

C16H25N3O2 — CID 61252448

IUPAC2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-10(2)13(17)14(20)18-11-7-6-8-12(9-11)19-15(21)16(3,4)5/h6-10,13H,17H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyQBPFUPKQGZOTMH-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.59
Rot. Bonds4

About 2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide

2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide (PubChem CID 61252448) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
PubChem CID61252448
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-10(2)13(17)14(20)18-11-7-6-8-12(9-11)19-15(21)16(3,4)5/h6-10,13H,17H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyQBPFUPKQGZOTMH-UHFFFAOYSA-N
XLogP2.59
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

(2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
CID 79011946
(2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride
CID 119277862
(2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide
CID 79013260
(2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 28973657
(2S)-2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 22690700
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-methylbutanamide
CID 61179301
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
N-[3-(2,2-dimethylpropanoylamino)phenyl]-2-propylpentanamide
CID 17296409
2,2-dimethyl-N-[3-(2-phenoxypropanoylamino)phenyl]propanamide
CID 17204568
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 61178920
N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide
CID 93090529
N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide (CID 61252448) is 2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide is CC(C)C(N)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of 2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide?
The InChIKey is QBPFUPKQGZOTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10(2)13(17)14(20)18-11-7-6-8-12(9-11)19-15(21)16(3,4)5/h6-10,13H,17H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of 2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide?
2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide has a molecular weight of 291.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide is sourced from PubChem (CID 61252448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).