(4-propanoylphenyl)carbamic acid

C10H11NO3 — CID 122623771

IUPAC(4-propanoylphenyl)carbamic acid
SMILESCCC(=O)c1ccc(NC(=O)O)cc1
InChIInChI=1S/C10H11NO3/c1-2-9(12)7-3-5-8(6-4-7)11-10(13)14/h3-6,11H,2H2,1H3,(H,13,14)
InChIKeyVOSFBFZZUZCKSZ-UHFFFAOYSA-N
MW193.20 g/mol
LogP2.37
Rot. Bonds3

About (4-propanoylphenyl)carbamic acid

(4-propanoylphenyl)carbamic acid (PubChem CID 122623771) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (4-propanoylphenyl)carbamic acid.

Molecular Properties

Compound Name(4-propanoylphenyl)carbamic acid
PubChem CID122623771
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(4-propanoylphenyl)carbamic acid
SMILESCCC(=O)c1ccc(NC(=O)O)cc1
InChIInChI=1S/C10H11NO3/c1-2-9(12)7-3-5-8(6-4-7)11-10(13)14/h3-6,11H,2H2,1H3,(H,13,14)
InChIKeyVOSFBFZZUZCKSZ-UHFFFAOYSA-N
XLogP2.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-2-oxo-N-(4-propanoylphenyl)butanamide
CID 51058470
N-[4-(2-chloroacetyl)phenyl]propanamide
CID 3429836
[4-(ethylcarbamoyl)phenyl]carbamic acid;propane
CID 142227182
[4-(ethylamino)phenyl]carbamic acid
CID 122640243
1-phenyl(111C)propan-1-one
CID 11159350
1-phenylpropan-1-one;zirconium
CID 173295106
methane;1-phenylpropan-1-one
CID 67638055
(2S)-N-(4-ethylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604722
1-(4-acetylphenyl)propan-1-one;ethane;3-oxo-N-phenylbutanamide
CID 174808780
N-[4-[(2S)-2-(4-propanoylphenoxy)propanoyl]phenyl]acetamide
CID 7788104
N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308
oxo-(4-propanoylanilino)-(4-propanoylphenyl)azanium
CID 125483259

Frequently Asked Questions

What is the IUPAC name of (4-propanoylphenyl)carbamic acid?
The IUPAC name of (4-propanoylphenyl)carbamic acid (CID 122623771) is (4-propanoylphenyl)carbamic acid.
What is the SMILES notation for (4-propanoylphenyl)carbamic acid?
The canonical SMILES for (4-propanoylphenyl)carbamic acid is CCC(=O)c1ccc(NC(=O)O)cc1.
What is the InChIKey of (4-propanoylphenyl)carbamic acid?
The InChIKey is VOSFBFZZUZCKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-9(12)7-3-5-8(6-4-7)11-10(13)14/h3-6,11H,2H2,1H3,(H,13,14).
What are the key properties of (4-propanoylphenyl)carbamic acid?
(4-propanoylphenyl)carbamic acid has a molecular weight of 193.20 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propanoylphenyl)carbamic acid is sourced from PubChem (CID 122623771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).