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

C14H20N2O4 — CID 29202825

IUPACethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)NCCCOC)c1
InChIInChI=1S/C14H20N2O4/c1-3-20-14(18)16-12-7-4-6-11(10-12)13(17)15-8-5-9-19-2/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyQTAMFHOTJVGTTR-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.02
Rot. Bonds7

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

ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate (PubChem CID 29202825) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate
PubChem CID29202825
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nameethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)NCCCOC)c1
InChIInChI=1S/C14H20N2O4/c1-3-20-14(18)16-12-7-4-6-11(10-12)13(17)15-8-5-9-19-2/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyQTAMFHOTJVGTTR-UHFFFAOYSA-N
XLogP2.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate
CID 17407696
N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide
CID 47200679
2-[[3-(ethoxycarbonylamino)benzoyl]amino]ethyl 2-methylprop-2-enoate
CID 163975563
3-[(4-ethoxybenzoyl)amino]-N-(3-methoxypropyl)benzamide
CID 26160199
ethyl N-[3-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenyl]carbamate
CID 46450279
3-iodo-N-[3-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
CID 26160147
N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46437560
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160383
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate
CID 9375024

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate?
The IUPAC name of ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate (CID 29202825) is ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate?
The canonical SMILES for ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate is CCOC(=O)Nc1cccc(C(=O)NCCCOC)c1.
What is the InChIKey of ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate?
The InChIKey is QTAMFHOTJVGTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-20-14(18)16-12-7-4-6-11(10-12)13(17)15-8-5-9-19-2/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate?
ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate has a molecular weight of 280.32 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(3-methoxypropylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 29202825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).