butyl N-(phenylcarbamoyl)carbamate

C12H16N2O3 — CID 67363969

IUPACbutyl N-(phenylcarbamoyl)carbamate
SMILESCCCCOC(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-2-3-9-17-12(16)14-11(15)13-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,13,14,15,16)
InChIKeyGGZBGAYDIZIVRZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.74
Rot. Bonds4

About butyl N-(phenylcarbamoyl)carbamate

butyl N-(phenylcarbamoyl)carbamate (PubChem CID 67363969) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is butyl N-(phenylcarbamoyl)carbamate.

Molecular Properties

Compound Namebutyl N-(phenylcarbamoyl)carbamate
PubChem CID67363969
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namebutyl N-(phenylcarbamoyl)carbamate
SMILESCCCCOC(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-2-3-9-17-12(16)14-11(15)13-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,13,14,15,16)
InChIKeyGGZBGAYDIZIVRZ-UHFFFAOYSA-N
XLogP2.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

dodecyl N-phenylcarbamate
CID 521818
1-butoxy-3-phenylurea
CID 4061845
butyl N-anilinocarbamate
CID 57279128
1-pentoxy-3-phenylurea
CID 5118367
methyl N-(phenylcarbamoyl)carbamate
CID 13097714
butyl N-(phenylsulfamoyl)carbamate
CID 131732175
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
1-(2-butoxyphenyl)-3-phenylurea
CID 17087022
butyl N-phenylsulfanylcarbothioylcarbamate
CID 87668595
butoxycarbonylcarbamic acid
CID 22136826
3-(butoxycarbonylamino)benzoic acid
CID 70253445
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236

Frequently Asked Questions

What is the IUPAC name of butyl N-(phenylcarbamoyl)carbamate?
The IUPAC name of butyl N-(phenylcarbamoyl)carbamate (CID 67363969) is butyl N-(phenylcarbamoyl)carbamate.
What is the SMILES notation for butyl N-(phenylcarbamoyl)carbamate?
The canonical SMILES for butyl N-(phenylcarbamoyl)carbamate is CCCCOC(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of butyl N-(phenylcarbamoyl)carbamate?
The InChIKey is GGZBGAYDIZIVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-3-9-17-12(16)14-11(15)13-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,13,14,15,16).
What are the key properties of butyl N-(phenylcarbamoyl)carbamate?
butyl N-(phenylcarbamoyl)carbamate has a molecular weight of 236.27 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(phenylcarbamoyl)carbamate is sourced from PubChem (CID 67363969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).