N-(1-ethoxypropan-2-yl)benzamide

C12H17NO2 — CID 47903637

IUPACN-(1-ethoxypropan-2-yl)benzamide
SMILESCCOCC(C)NC(=O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-15-9-10(2)13-12(14)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,13,14)
InChIKeyBHDIJJBXGSGLQR-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.84
Rot. Bonds5

About N-(1-ethoxypropan-2-yl)benzamide

N-(1-ethoxypropan-2-yl)benzamide (PubChem CID 47903637) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)benzamide
PubChem CID47903637
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-(1-ethoxypropan-2-yl)benzamide
SMILESCCOCC(C)NC(=O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-15-9-10(2)13-12(14)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,13,14)
InChIKeyBHDIJJBXGSGLQR-UHFFFAOYSA-N
XLogP1.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-butoxypropan-2-yl]benzamide
CID 164674698
N-(1-ethoxypropan-2-yl)-4-iodobenzamide
CID 47903616
3-[3-(1-ethoxypropan-2-ylcarbamoyl)phenyl]prop-2-enoic acid
CID 76930375
N-(1-ethoxypropan-2-yl)-2-iodobenzamide
CID 47903574
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
2-(1-ethoxypropan-2-ylcarbamoyl)-3,6-dimethylbenzoic acid
CID 103429008
5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide
CID 47901542
N-(1-chloropropan-2-yl)benzamide
CID 3683093
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide
CID 139460648
N-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide
CID 63977834
methyl 3-benzamidobutanoate
CID 10857046
3-bromo-N-(1-ethoxypropan-2-yl)-5-methylbenzamide
CID 104852582

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)benzamide?
The IUPAC name of N-(1-ethoxypropan-2-yl)benzamide (CID 47903637) is N-(1-ethoxypropan-2-yl)benzamide.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)benzamide?
The canonical SMILES for N-(1-ethoxypropan-2-yl)benzamide is CCOCC(C)NC(=O)c1ccccc1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)benzamide?
The InChIKey is BHDIJJBXGSGLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-15-9-10(2)13-12(14)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,13,14).
What are the key properties of N-(1-ethoxypropan-2-yl)benzamide?
N-(1-ethoxypropan-2-yl)benzamide has a molecular weight of 207.27 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)benzamide is sourced from PubChem (CID 47903637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).