[4-(propoxycarbonylamino)phenyl]carbamic acid

C11H14N2O4 — CID 70130219

IUPAC[4-(propoxycarbonylamino)phenyl]carbamic acid
SMILESCCCOC(=O)Nc1ccc(NC(=O)O)cc1
InChIInChI=1S/C11H14N2O4/c1-2-7-17-11(16)13-9-5-3-8(4-6-9)12-10(14)15/h3-6,12H,2,7H2,1H3,(H,13,16)(H,14,15)
InChIKeyRCHYKUBIFPQKCY-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.73
Rot. Bonds4

About [4-(propoxycarbonylamino)phenyl]carbamic acid

[4-(propoxycarbonylamino)phenyl]carbamic acid (PubChem CID 70130219) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is [4-(propoxycarbonylamino)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-(propoxycarbonylamino)phenyl]carbamic acid
PubChem CID70130219
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name[4-(propoxycarbonylamino)phenyl]carbamic acid
SMILESCCCOC(=O)Nc1ccc(NC(=O)O)cc1
InChIInChI=1S/C11H14N2O4/c1-2-7-17-11(16)13-9-5-3-8(4-6-9)12-10(14)15/h3-6,12H,2,7H2,1H3,(H,13,16)(H,14,15)
InChIKeyRCHYKUBIFPQKCY-UHFFFAOYSA-N
XLogP2.73
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
propyl N-(4-fluoro-3-methylphenyl)carbamate
CID 59576509
propyl N-(4-phenylmethoxyphenyl)carbamate
CID 19169909
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
2-hydroxyethyl N-(4-propoxyphenyl)carbamate
CID 79348792
dodecyl N-phenylcarbamate
CID 521818
2-ethoxyethyl N-(4-methylphenyl)carbamate
CID 4614670
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215

Frequently Asked Questions

What is the IUPAC name of [4-(propoxycarbonylamino)phenyl]carbamic acid?
The IUPAC name of [4-(propoxycarbonylamino)phenyl]carbamic acid (CID 70130219) is [4-(propoxycarbonylamino)phenyl]carbamic acid.
What is the SMILES notation for [4-(propoxycarbonylamino)phenyl]carbamic acid?
The canonical SMILES for [4-(propoxycarbonylamino)phenyl]carbamic acid is CCCOC(=O)Nc1ccc(NC(=O)O)cc1.
What is the InChIKey of [4-(propoxycarbonylamino)phenyl]carbamic acid?
The InChIKey is RCHYKUBIFPQKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-7-17-11(16)13-9-5-3-8(4-6-9)12-10(14)15/h3-6,12H,2,7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of [4-(propoxycarbonylamino)phenyl]carbamic acid?
[4-(propoxycarbonylamino)phenyl]carbamic acid has a molecular weight of 238.24 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propoxycarbonylamino)phenyl]carbamic acid is sourced from PubChem (CID 70130219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).