N-[1-(propanoylamino)ethyl]benzamide

C12H16N2O2 — CID 123943700

IUPACN-[1-(propanoylamino)ethyl]benzamide
SMILESCCC(=O)NC(C)NC(=O)c1ccccc1
InChIInChI=1S/C12H16N2O2/c1-3-11(15)13-9(2)14-12(16)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVVTWMTQLOXTVRZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.29
Rot. Bonds4

About N-[1-(propanoylamino)ethyl]benzamide

N-[1-(propanoylamino)ethyl]benzamide (PubChem CID 123943700) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[1-(propanoylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[1-(propanoylamino)ethyl]benzamide
PubChem CID123943700
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[1-(propanoylamino)ethyl]benzamide
SMILESCCC(=O)NC(C)NC(=O)c1ccccc1
InChIInChI=1S/C12H16N2O2/c1-3-11(15)13-9(2)14-12(16)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVVTWMTQLOXTVRZ-UHFFFAOYSA-N
XLogP1.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
N-(1-bromo-2-oxobutyl)benzamide
CID 13139261
N-(1-chloro-2-oxobutyl)benzamide
CID 13139265
N-(2-methyl-3-oxoheptan-4-yl)benzamide
CID 174885665
ethane;N-(4-methyl-3-oxopentan-2-yl)benzamide
CID 168983006
N-(1-chloropropan-2-yl)benzamide
CID 3683093
N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide
CID 24639425
CID 68891597
CID 68891597
N-(4-aminobutan-2-yl)benzamide
CID 62087210
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153

Frequently Asked Questions

What is the IUPAC name of N-[1-(propanoylamino)ethyl]benzamide?
The IUPAC name of N-[1-(propanoylamino)ethyl]benzamide (CID 123943700) is N-[1-(propanoylamino)ethyl]benzamide.
What is the SMILES notation for N-[1-(propanoylamino)ethyl]benzamide?
The canonical SMILES for N-[1-(propanoylamino)ethyl]benzamide is CCC(=O)NC(C)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-(propanoylamino)ethyl]benzamide?
The InChIKey is VVTWMTQLOXTVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-11(15)13-9(2)14-12(16)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-[1-(propanoylamino)ethyl]benzamide?
N-[1-(propanoylamino)ethyl]benzamide has a molecular weight of 220.27 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(propanoylamino)ethyl]benzamide is sourced from PubChem (CID 123943700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).