benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate

C20H25NO4 — CID 146517395

IUPACbenzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate
SMILESCC(COCCOCc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H25NO4/c1-17(21-20(22)25-16-19-10-6-3-7-11-19)14-23-12-13-24-15-18-8-4-2-5-9-18/h2-11,17H,12-16H2,1H3,(H,21,22)
InChIKeyLQRMCHWHWQSDRP-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.53
Rot. Bonds10

About benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate

benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate (PubChem CID 146517395) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate
PubChem CID146517395
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Namebenzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate
SMILESCC(COCCOCc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H25NO4/c1-17(21-20(22)25-16-19-10-6-3-7-11-19)14-23-12-13-24-15-18-8-4-2-5-9-18/h2-11,17H,12-16H2,1H3,(H,21,22)
InChIKeyLQRMCHWHWQSDRP-UHFFFAOYSA-N
XLogP3.53
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 11631115
(2S)-2-amino-N-(1-phenylmethoxypropan-2-yl)propanamide;hydrochloride
CID 119335271
3-amino-2-methyl-N-(1-phenylmethoxypropan-2-yl)butanamide
CID 120501631
2-amino-N-(1-phenylmethoxypropan-2-yl)pentanamide;hydrochloride
CID 119335294
benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate
CID 131182059
2-amino-N-(1-phenylmethoxypropan-2-yl)acetamide
CID 119335277
benzyl N-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamate;formic acid
CID 143574648
benzyl N-pent-4-en-2-ylcarbamate
CID 50916610
benzyl N-[(2S)-butan-2-yl]carbamate;(2S)-butan-2-amine;deuterium monohydride
CID 160578481
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate (CID 146517395) is benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate is CC(COCCOCc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate?
The InChIKey is LQRMCHWHWQSDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-17(21-20(22)25-16-19-10-6-3-7-11-19)14-23-12-13-24-15-18-8-4-2-5-9-18/h2-11,17H,12-16H2,1H3,(H,21,22).
What are the key properties of benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate?
benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate has a molecular weight of 343.42 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate is sourced from PubChem (CID 146517395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).