2-amino-2-ethyl-N-[4-(propanoylamino)phenyl]butanamide

C15H23N3O2 — CID 79810229

IUPAC2-amino-2-ethyl-N-[4-(propanoylamino)phenyl]butanamide
SMILESCCC(=O)Nc1ccc(NC(=O)C(N)(CC)CC)cc1
InChIInChI=1S/C15H23N3O2/c1-4-13(19)17-11-7-9-12(10-8-11)18-14(20)15(16,5-2)6-3/h7-10H,4-6,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyJFDLAXQYYNTYIG-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.49
Rot. Bonds6

About 2-amino-2-ethyl-N-[4-(propanoylamino)phenyl]butanamide

2-amino-2-ethyl-N-[4-(propanoylamino)phenyl]butanamide (PubChem CID 79810229) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[4-(propanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[4-(propanoylamino)phenyl]butanamide
PubChem CID79810229
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-amino-2-ethyl-N-[4-(propanoylamino)phenyl]butanamide
SMILESCCC(=O)Nc1ccc(NC(=O)C(N)(CC)CC)cc1
InChIInChI=1S/C15H23N3O2/c1-4-13(19)17-11-7-9-12(10-8-11)18-14(20)15(16,5-2)6-3/h7-10H,4-6,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyJFDLAXQYYNTYIG-UHFFFAOYSA-N
XLogP2.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride
CID 119735835
2-amino-2-ethyl-N-(4-methylsulfanylphenyl)butanamide
CID 79809132
3-chloro-2,2-dimethyl-N-[4-(propanoylamino)phenyl]propanamide
CID 63680174
N-[4-[(2-aminoacetyl)amino]phenyl]propanamide
CID 43708679
(2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 119296177
4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
CID 119296184
2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79813584
2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide
CID 76887665
2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
CID 79809348
N-[4-(propan-2-ylamino)phenyl]propanamide
CID 43720685
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 79809856
2-amino-N-(3-chlorophenyl)-2-ethylbutanamide
CID 79809226

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-[4-(propanoylamino)phenyl]butanamide?
The IUPAC name of 2-amino-2-ethyl-N-[4-(propanoylamino)phenyl]butanamide (CID 79810229) is 2-amino-2-ethyl-N-[4-(propanoylamino)phenyl]butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[4-(propanoylamino)phenyl]butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[4-(propanoylamino)phenyl]butanamide is CCC(=O)Nc1ccc(NC(=O)C(N)(CC)CC)cc1.
What is the InChIKey of 2-amino-2-ethyl-N-[4-(propanoylamino)phenyl]butanamide?
The InChIKey is JFDLAXQYYNTYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-13(19)17-11-7-9-12(10-8-11)18-14(20)15(16,5-2)6-3/h7-10H,4-6,16H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 2-amino-2-ethyl-N-[4-(propanoylamino)phenyl]butanamide?
2-amino-2-ethyl-N-[4-(propanoylamino)phenyl]butanamide has a molecular weight of 277.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-[4-(propanoylamino)phenyl]butanamide is sourced from PubChem (CID 79810229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).