benzyl N-(2-benzamidoethyl)carbamate

C17H18N2O3 — CID 12715872

IUPACbenzyl N-(2-benzamidoethyl)carbamate
SMILESO=C(NCCNC(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H18N2O3/c20-16(15-9-5-2-6-10-15)18-11-12-19-17(21)22-13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,18,20)(H,19,21)
InChIKeyUDQWSSUISOKTBK-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.34
Rot. Bonds6

About benzyl N-(2-benzamidoethyl)carbamate

benzyl N-(2-benzamidoethyl)carbamate (PubChem CID 12715872) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is benzyl N-(2-benzamidoethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-benzamidoethyl)carbamate
PubChem CID12715872
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namebenzyl N-(2-benzamidoethyl)carbamate
SMILESO=C(NCCNC(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H18N2O3/c20-16(15-9-5-2-6-10-15)18-11-12-19-17(21)22-13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,18,20)(H,19,21)
InChIKeyUDQWSSUISOKTBK-UHFFFAOYSA-N
XLogP2.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.34
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

benzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate
CID 159867528
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-benzamidocarbamate
CID 4935848
2-[2-(phenylmethoxycarbonylamino)ethylamino]acetic acid
CID 10354829
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[2-[(5-bromofuran-2-carbonyl)amino]ethyl]carbamate
CID 108571926
benzyl N-[2-[2-(ethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 139472317
benzyl N-(8-bromooctyl)carbamate
CID 86200547
benzyl N-[3-[3-[3-[3-[3-[[3,5-bis[3-(phenylmethoxycarbonylamino)propyl]benzoyl]amino]propyl]-5-(hydroxymethyl)phenyl]propylcarbamoyl]-5-[3-(phenylmethoxycarbonylamino)propyl]phenyl]propyl]carbamate
CID 102153538
benzyl N-[2-(butanoylamino)ethyl]carbamate
CID 130774623

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-benzamidoethyl)carbamate?
The IUPAC name of benzyl N-(2-benzamidoethyl)carbamate (CID 12715872) is benzyl N-(2-benzamidoethyl)carbamate.
What is the SMILES notation for benzyl N-(2-benzamidoethyl)carbamate?
The canonical SMILES for benzyl N-(2-benzamidoethyl)carbamate is O=C(NCCNC(=O)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-benzamidoethyl)carbamate?
The InChIKey is UDQWSSUISOKTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-16(15-9-5-2-6-10-15)18-11-12-19-17(21)22-13-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,18,20)(H,19,21).
What are the key properties of benzyl N-(2-benzamidoethyl)carbamate?
benzyl N-(2-benzamidoethyl)carbamate has a molecular weight of 298.34 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-benzamidoethyl)carbamate is sourced from PubChem (CID 12715872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).