(4-carbamoylphenyl)methylcarbamic acid

C9H10N2O3 — CID 91190690

IUPAC(4-carbamoylphenyl)methylcarbamic acid
SMILESNC(=O)c1ccc(CNC(=O)O)cc1
InChIInChI=1S/C9H10N2O3/c10-8(12)7-3-1-6(2-4-7)5-11-9(13)14/h1-4,11H,5H2,(H2,10,12)(H,13,14)
InChIKeyGMMVDPRFZRENFT-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.55
Rot. Bonds3

About (4-carbamoylphenyl)methylcarbamic acid

(4-carbamoylphenyl)methylcarbamic acid (PubChem CID 91190690) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is (4-carbamoylphenyl)methylcarbamic acid.

Molecular Properties

Compound Name(4-carbamoylphenyl)methylcarbamic acid
PubChem CID91190690
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name(4-carbamoylphenyl)methylcarbamic acid
SMILESNC(=O)c1ccc(CNC(=O)O)cc1
InChIInChI=1S/C9H10N2O3/c10-8(12)7-3-1-6(2-4-7)5-11-9(13)14/h1-4,11H,5H2,(H2,10,12)(H,13,14)
InChIKeyGMMVDPRFZRENFT-UHFFFAOYSA-N
XLogP0.55
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(phenylcarbamoylamino)methyl]benzamide
CID 47118035
[4-(hydroxycarbamoyl)phenyl]methylcarbamic acid
CID 87544855
4-[2-(4-carbamoylphenyl)ethyl]benzamide
CID 14507735
4-[(cyanoamino)methyl]benzamide
CID 124908110
N-benzyl-N'-(4-carbamoylphenyl)oxamide
CID 7584954
4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide
CID 51195875
[4-(phenylmethoxycarbamoyl)phenyl]methylcarbamic acid
CID 87545095
4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide
CID 43420714
[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide
CID 68644964
4-[(4-phenoxybutanoylamino)methyl]benzamide
CID 51152240
4-[[[2-(2,3,6-trimethylphenoxy)acetyl]amino]methyl]benzamide
CID 108766269
N-[(4-carbamoylphenyl)methyl]pyridine-2-carboxamide
CID 108743925

Frequently Asked Questions

What is the IUPAC name of (4-carbamoylphenyl)methylcarbamic acid?
The IUPAC name of (4-carbamoylphenyl)methylcarbamic acid (CID 91190690) is (4-carbamoylphenyl)methylcarbamic acid.
What is the SMILES notation for (4-carbamoylphenyl)methylcarbamic acid?
The canonical SMILES for (4-carbamoylphenyl)methylcarbamic acid is NC(=O)c1ccc(CNC(=O)O)cc1.
What is the InChIKey of (4-carbamoylphenyl)methylcarbamic acid?
The InChIKey is GMMVDPRFZRENFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c10-8(12)7-3-1-6(2-4-7)5-11-9(13)14/h1-4,11H,5H2,(H2,10,12)(H,13,14).
What are the key properties of (4-carbamoylphenyl)methylcarbamic acid?
(4-carbamoylphenyl)methylcarbamic acid has a molecular weight of 194.19 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylphenyl)methylcarbamic acid is sourced from PubChem (CID 91190690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).