ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate

C15H22N2O3 — CID 17407696

IUPACethyl N-[3-(pentylcarbamoyl)phenyl]carbamate
SMILESCCCCCNC(=O)c1cccc(NC(=O)OCC)c1
InChIInChI=1S/C15H22N2O3/c1-3-5-6-10-16-14(18)12-8-7-9-13(11-12)17-15(19)20-4-2/h7-9,11H,3-6,10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyKUWXLLPEBFBABC-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.17
Rot. Bonds7

About ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate

ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate (PubChem CID 17407696) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-(pentylcarbamoyl)phenyl]carbamate
PubChem CID17407696
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl N-[3-(pentylcarbamoyl)phenyl]carbamate
SMILESCCCCCNC(=O)c1cccc(NC(=O)OCC)c1
InChIInChI=1S/C15H22N2O3/c1-3-5-6-10-16-14(18)12-8-7-9-13(11-12)17-15(19)20-4-2/h7-9,11H,3-6,10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyKUWXLLPEBFBABC-UHFFFAOYSA-N
XLogP3.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.17
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

ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate
CID 29202825
ethyl N-[3-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenyl]carbamate
CID 46450279
ethyl 4-[3-(butylcarbamoyl)anilino]-4-oxobutanoate
CID 17196916
ethyl 3-(tetradecylcarbamoyl)benzoate
CID 163748479
N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide
CID 54814616
2-[[3-(ethoxycarbonylamino)benzoyl]amino]ethyl 2-methylprop-2-enoate
CID 163975563
ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate
CID 9375024
N-butyl-3-(heptanoylamino)benzamide
CID 54789148
3-[[2-(hexadecylamino)acetyl]amino]-N-propylbenzamide
CID 54808714
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820705
ethyl (E)-4-oxo-4-[3-(propylcarbamoyl)anilino]but-2-enoate
CID 17222604

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate?
The IUPAC name of ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate (CID 17407696) is ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate?
The canonical SMILES for ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate is CCCCCNC(=O)c1cccc(NC(=O)OCC)c1.
What is the InChIKey of ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate?
The InChIKey is KUWXLLPEBFBABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-5-6-10-16-14(18)12-8-7-9-13(11-12)17-15(19)20-4-2/h7-9,11H,3-6,10H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate?
ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 17407696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).