N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide

C13H18N2O2 — CID 42909871

IUPACN-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
SMILESCC(C)NC(=O)C(C)NC(=O)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-9(2)14-12(16)10(3)15-13(17)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,14,16)(H,15,17)
InChIKeyGGALWRYGWZDNPJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.33
Rot. Bonds4

About N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide

N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide (PubChem CID 42909871) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
PubChem CID42909871
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
SMILESCC(C)NC(=O)C(C)NC(=O)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-9(2)14-12(16)10(3)15-13(17)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,14,16)(H,15,17)
InChIKeyGGALWRYGWZDNPJ-UHFFFAOYSA-N
XLogP1.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
N-[1-(1,3-dihydroxypropan-2-ylamino)-1-oxopropan-2-yl]benzamide
CID 65315325
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]benzamide
CID 673653
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102098
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102099
CID 68891597
CID 68891597
N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide
CID 71491154
N-[(2S)-1-[8-[[(2S)-2-benzamidopropanoyl]amino]octylamino]-1-oxopropan-2-yl]benzamide
CID 71491217
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
N-[1-(cyclooctylamino)-1-oxopropan-2-yl]benzamide
CID 18158922
methyl (2S)-2-benzamidopropanoate
CID 6364617

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide?
The IUPAC name of N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide (CID 42909871) is N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide.
What is the SMILES notation for N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide?
The canonical SMILES for N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide is CC(C)NC(=O)C(C)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide?
The InChIKey is GGALWRYGWZDNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(2)14-12(16)10(3)15-13(17)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide?
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide is sourced from PubChem (CID 42909871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).