benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate

C17H18N2O4 — CID 13001569

IUPACbenzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
SMILESO=C(NCNC(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H18N2O4/c20-16(22-11-14-7-3-1-4-8-14)18-13-19-17(21)23-12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,20)(H,19,21)
InChIKeyAODPCGXVTWEEGQ-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.80
Rot. Bonds6

About benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate

benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate (PubChem CID 13001569) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
PubChem CID13001569
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Namebenzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
SMILESO=C(NCNC(=O)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H18N2O4/c20-16(22-11-14-7-3-1-4-8-14)18-13-19-17(21)23-12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,20)(H,19,21)
InChIKeyAODPCGXVTWEEGQ-UHFFFAOYSA-N
XLogP2.80
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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-(2-amino-2-oxoethyl)carbamate
CID 69459510
hydroxymethyl-oxo-(phenylmethoxycarbonylaminomethyl)phosphanium
CID 71351136
phenylmethoxycarbonylaminomethyl carbonochloridate
CID 23599847
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-(2-aminoprop-2-enyl)carbamate
CID 146420722

Frequently Asked Questions

What is the IUPAC name of benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate?
The IUPAC name of benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate (CID 13001569) is benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate.
What is the SMILES notation for benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate?
The canonical SMILES for benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate is O=C(NCNC(=O)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate?
The InChIKey is AODPCGXVTWEEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-16(22-11-14-7-3-1-4-8-14)18-13-19-17(21)23-12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,20)(H,19,21).
What are the key properties of benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate?
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate has a molecular weight of 314.34 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate is sourced from PubChem (CID 13001569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).