methyl N-(3-phenoxypropanoyl)carbamate

C11H13NO4 — CID 15317639

IUPACmethyl N-(3-phenoxypropanoyl)carbamate
SMILESCOC(=O)NC(=O)CCOc1ccccc1
InChIInChI=1S/C11H13NO4/c1-15-11(14)12-10(13)7-8-16-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13,14)
InChIKeyDDJCNFKOZRXXHT-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.34
Rot. Bonds4

About methyl N-(3-phenoxypropanoyl)carbamate

methyl N-(3-phenoxypropanoyl)carbamate (PubChem CID 15317639) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl N-(3-phenoxypropanoyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-phenoxypropanoyl)carbamate
PubChem CID15317639
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl N-(3-phenoxypropanoyl)carbamate
SMILESCOC(=O)NC(=O)CCOc1ccccc1
InChIInChI=1S/C11H13NO4/c1-15-11(14)12-10(13)7-8-16-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13,14)
InChIKeyDDJCNFKOZRXXHT-UHFFFAOYSA-N
XLogP1.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-(3-phenoxypropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167057
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841440
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
N-[(2-methylpropan-2-yl)oxy]-3-phenoxypropanamide
CID 82724045
1-methoxy-5-phenoxypentan-3-one
CID 114998471
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
N-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide
CID 62416404
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
N-[(2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26734453
N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
CID 81042132

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-phenoxypropanoyl)carbamate?
The IUPAC name of methyl N-(3-phenoxypropanoyl)carbamate (CID 15317639) is methyl N-(3-phenoxypropanoyl)carbamate.
What is the SMILES notation for methyl N-(3-phenoxypropanoyl)carbamate?
The canonical SMILES for methyl N-(3-phenoxypropanoyl)carbamate is COC(=O)NC(=O)CCOc1ccccc1.
What is the InChIKey of methyl N-(3-phenoxypropanoyl)carbamate?
The InChIKey is DDJCNFKOZRXXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-15-11(14)12-10(13)7-8-16-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13,14).
What are the key properties of methyl N-(3-phenoxypropanoyl)carbamate?
methyl N-(3-phenoxypropanoyl)carbamate has a molecular weight of 223.23 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-phenoxypropanoyl)carbamate is sourced from PubChem (CID 15317639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).