benzene;N-ethylpropanamide

C11H17NO — CID 91081767

IUPACbenzene;N-ethylpropanamide
SMILESCCNC(=O)CC.c1ccccc1
InChIInChI=1S/C6H6.C5H11NO/c1-2-4-6-5-3-1;1-3-5(7)6-4-2/h1-6H;3-4H2,1-2H3,(H,6,7)
InChIKeyVEUTXSNMFUFWRF-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.22
Rot. Bonds2

About benzene;N-ethylpropanamide

benzene;N-ethylpropanamide (PubChem CID 91081767) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is benzene;N-ethylpropanamide.

Molecular Properties

Compound Namebenzene;N-ethylpropanamide
PubChem CID91081767
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Namebenzene;N-ethylpropanamide
SMILESCCNC(=O)CC.c1ccccc1
InChIInChI=1S/C6H6.C5H11NO/c1-2-4-6-5-3-1;1-3-5(7)6-4-2/h1-6H;3-4H2,1-2H3,(H,6,7)
InChIKeyVEUTXSNMFUFWRF-UHFFFAOYSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-Phenylethyl)propanamide
CID 94894
N-(2-Phenylethyl)-isobutyramide
CID 290550
2-methyl-N-(3-phenylpropyl)propanamide
CID 2906692
Cinnamamide, N-allyl-alpha-methyl-
CID 6435635
n-(2-Phenylethyl)butanamide
CID 221995
N-phenylethylpivalamide
CID 546250
3-methyl-N-(4-phenylbutyl)butanamide
CID 2165512
2,2-dimethyl-N-(3-phenylpropyl)propanamide
CID 2230496
Cinnamamide, N-allyl-alpha,beta-dimethyl-, (E)-
CID 3033120
Cinnamamide, N-allyl-alpha,beta-dimethyl-, (Z)-
CID 3033129
2-Azetidinone, 4-(phenylseleno)-
CID 3278057
Cinnamamide, alpha,beta-dimethyl-N-ethyl-, (E)-
CID 3033118

Frequently Asked Questions

What is the IUPAC name of benzene;N-ethylpropanamide?
The IUPAC name of benzene;N-ethylpropanamide (CID 91081767) is benzene;N-ethylpropanamide.
What is the SMILES notation for benzene;N-ethylpropanamide?
The canonical SMILES for benzene;N-ethylpropanamide is CCNC(=O)CC.c1ccccc1.
What is the InChIKey of benzene;N-ethylpropanamide?
The InChIKey is VEUTXSNMFUFWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H11NO/c1-2-4-6-5-3-1;1-3-5(7)6-4-2/h1-6H;3-4H2,1-2H3,(H,6,7).
What are the key properties of benzene;N-ethylpropanamide?
benzene;N-ethylpropanamide has a molecular weight of 179.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-ethylpropanamide is sourced from PubChem (CID 91081767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).