benzene;N-ethylpropanamide;propane

C14H25NO — CID 90906945

IUPACbenzene;N-ethylpropanamide;propane
SMILESCCC.CCNC(=O)CC.c1ccccc1
InChIInChI=1S/C6H6.C5H11NO.C3H8/c1-2-4-6-5-3-1;1-3-5(7)6-4-2;1-3-2/h1-6H;3-4H2,1-2H3,(H,6,7);3H2,1-2H3
InChIKeyGKXSKWUVOMLYFA-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.64
Rot. Bonds2

About benzene;N-ethylpropanamide;propane

benzene;N-ethylpropanamide;propane (PubChem CID 90906945) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is benzene;N-ethylpropanamide;propane.

Molecular Properties

Compound Namebenzene;N-ethylpropanamide;propane
PubChem CID90906945
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Namebenzene;N-ethylpropanamide;propane
SMILESCCC.CCNC(=O)CC.c1ccccc1
InChIInChI=1S/C6H6.C5H11NO.C3H8/c1-2-4-6-5-3-1;1-3-5(7)6-4-2;1-3-2/h1-6H;3-4H2,1-2H3,(H,6,7);3H2,1-2H3
InChIKeyGKXSKWUVOMLYFA-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.64
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;propane?
The IUPAC name of benzene;N-ethylpropanamide;propane (CID 90906945) is benzene;N-ethylpropanamide;propane.
What is the SMILES notation for benzene;N-ethylpropanamide;propane?
The canonical SMILES for benzene;N-ethylpropanamide;propane is CCC.CCNC(=O)CC.c1ccccc1.
What is the InChIKey of benzene;N-ethylpropanamide;propane?
The InChIKey is GKXSKWUVOMLYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H11NO.C3H8/c1-2-4-6-5-3-1;1-3-5(7)6-4-2;1-3-2/h1-6H;3-4H2,1-2H3,(H,6,7);3H2,1-2H3.
What are the key properties of benzene;N-ethylpropanamide;propane?
benzene;N-ethylpropanamide;propane has a molecular weight of 223.36 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-ethylpropanamide;propane is sourced from PubChem (CID 90906945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).