2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide

C15H23N3O2 — CID 76887665

IUPAC2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide
SMILESCCC(=O)Nc1ccc(NC(=O)C(N)C(C)(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-5-12(19)17-10-6-8-11(9-7-10)18-14(20)13(16)15(2,3)4/h6-9,13H,5,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyONSCONRJOPIQKB-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.35
Rot. Bonds4

About 2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide

2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide (PubChem CID 76887665) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide
PubChem CID76887665
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide
SMILESCCC(=O)Nc1ccc(NC(=O)C(N)C(C)(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-5-12(19)17-10-6-8-11(9-7-10)18-14(20)13(16)15(2,3)4/h6-9,13H,5,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyONSCONRJOPIQKB-UHFFFAOYSA-N
XLogP2.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 119703637
(2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 103928627
2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76887492
(2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 119296177
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215
(2S)-2-amino-3,3-dimethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]butanamide
CID 119704534
methyl N-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 61179916
methyl N-[4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 103928929
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670354
N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide
CID 76896604
3-[4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]butanoic acid
CID 104503052
(2S)-2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3,3-dimethylbutanamide
CID 119871145

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide (CID 76887665) is 2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide is CCC(=O)Nc1ccc(NC(=O)C(N)C(C)(C)C)cc1.
What is the InChIKey of 2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide?
The InChIKey is ONSCONRJOPIQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-12(19)17-10-6-8-11(9-7-10)18-14(20)13(16)15(2,3)4/h6-9,13H,5,16H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide?
2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide has a molecular weight of 277.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide is sourced from PubChem (CID 76887665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).