[5-(ethylcarbamoyloxy)-3-phenylmethoxypentyl] N-ethylcarbamate

C18H28N2O5 — CID 59982571

IUPAC[5-(ethylcarbamoyloxy)-3-phenylmethoxypentyl] N-ethylcarbamate
SMILESCCNC(=O)OCCC(CCOC(=O)NCC)OCc1ccccc1
InChIInChI=1S/C18H28N2O5/c1-3-19-17(21)23-12-10-16(11-13-24-18(22)20-4-2)25-14-15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDVXBOHDBRRQRKI-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.84
Rot. Bonds11

About [5-(ethylcarbamoyloxy)-3-phenylmethoxypentyl] N-ethylcarbamate

[5-(ethylcarbamoyloxy)-3-phenylmethoxypentyl] N-ethylcarbamate (PubChem CID 59982571) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is [5-(ethylcarbamoyloxy)-3-phenylmethoxypentyl] N-ethylcarbamate.

Molecular Properties

Compound Name[5-(ethylcarbamoyloxy)-3-phenylmethoxypentyl] N-ethylcarbamate
PubChem CID59982571
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name[5-(ethylcarbamoyloxy)-3-phenylmethoxypentyl] N-ethylcarbamate
SMILESCCNC(=O)OCCC(CCOC(=O)NCC)OCc1ccccc1
InChIInChI=1S/C18H28N2O5/c1-3-19-17(21)23-12-10-16(11-13-24-18(22)20-4-2)25-14-15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDVXBOHDBRRQRKI-UHFFFAOYSA-N
XLogP2.84
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
benzyl ethylcarbamoyl carbonate
CID 174255630
diethyl 3-phenylmethoxypentanedioate
CID 73212048
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
3-hydroxybutyl N-benzylcarbamate
CID 142744474
(2S,3R)-3-methyl-2-phenylmethoxy-4-(phenylmethoxycarbonylamino)butanoic acid
CID 67806638
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
(3S)-3-phenylmethoxypentanoic acid
CID 57355663
6-phenylmethoxyoctan-3-one
CID 163975632
(2S,3R)-2,3-bis(phenylmethoxy)-4-(phenylmethoxycarbonylamino)butanoic acid
CID 70815205
3-methoxy-N-methyl-2-phenylmethoxypropan-1-amine
CID 103227745
(3S)-3,5-bis(phenylmethoxy)pentan-1-ol
CID 15168221

Frequently Asked Questions

What is the IUPAC name of [5-(ethylcarbamoyloxy)-3-phenylmethoxypentyl] N-ethylcarbamate?
The IUPAC name of [5-(ethylcarbamoyloxy)-3-phenylmethoxypentyl] N-ethylcarbamate (CID 59982571) is [5-(ethylcarbamoyloxy)-3-phenylmethoxypentyl] N-ethylcarbamate.
What is the SMILES notation for [5-(ethylcarbamoyloxy)-3-phenylmethoxypentyl] N-ethylcarbamate?
The canonical SMILES for [5-(ethylcarbamoyloxy)-3-phenylmethoxypentyl] N-ethylcarbamate is CCNC(=O)OCCC(CCOC(=O)NCC)OCc1ccccc1.
What is the InChIKey of [5-(ethylcarbamoyloxy)-3-phenylmethoxypentyl] N-ethylcarbamate?
The InChIKey is DVXBOHDBRRQRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5/c1-3-19-17(21)23-12-10-16(11-13-24-18(22)20-4-2)25-14-15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of [5-(ethylcarbamoyloxy)-3-phenylmethoxypentyl] N-ethylcarbamate?
[5-(ethylcarbamoyloxy)-3-phenylmethoxypentyl] N-ethylcarbamate has a molecular weight of 352.43 g/mol, XLogP of 2.84, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethylcarbamoyloxy)-3-phenylmethoxypentyl] N-ethylcarbamate is sourced from PubChem (CID 59982571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).