butyl N-[2-[(2-phenoxyacetyl)amino]ethyl]carbamate

C15H22N2O4 — CID 108573944

IUPACbutyl N-[2-[(2-phenoxyacetyl)amino]ethyl]carbamate
SMILESCCCCOC(=O)NCCNC(=O)COc1ccccc1
InChIInChI=1S/C15H22N2O4/c1-2-3-11-20-15(19)17-10-9-16-14(18)12-21-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,16,18)(H,17,19)
InChIKeyQOOYRISILLOGRT-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.71
Rot. Bonds9

About butyl N-[2-[(2-phenoxyacetyl)amino]ethyl]carbamate

butyl N-[2-[(2-phenoxyacetyl)amino]ethyl]carbamate (PubChem CID 108573944) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is butyl N-[2-[(2-phenoxyacetyl)amino]ethyl]carbamate.

Molecular Properties

Compound Namebutyl N-[2-[(2-phenoxyacetyl)amino]ethyl]carbamate
PubChem CID108573944
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namebutyl N-[2-[(2-phenoxyacetyl)amino]ethyl]carbamate
SMILESCCCCOC(=O)NCCNC(=O)COc1ccccc1
InChIInChI=1S/C15H22N2O4/c1-2-3-11-20-15(19)17-10-9-16-14(18)12-21-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,16,18)(H,17,19)
InChIKeyQOOYRISILLOGRT-UHFFFAOYSA-N
XLogP1.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide
CID 102457395
butyl N-(5-phenylpentyl)carbamate
CID 69404409
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
4-[2-(butylamino)-2-oxoethoxy]benzoic acid
CID 22645381
2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 40778027
N-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994
3-phenylpropyl N-(2-phenoxyethyl)carbamate
CID 6733581
2-(butoxycarbonylamino)ethyl benzoate
CID 570837

Frequently Asked Questions

What is the IUPAC name of butyl N-[2-[(2-phenoxyacetyl)amino]ethyl]carbamate?
The IUPAC name of butyl N-[2-[(2-phenoxyacetyl)amino]ethyl]carbamate (CID 108573944) is butyl N-[2-[(2-phenoxyacetyl)amino]ethyl]carbamate.
What is the SMILES notation for butyl N-[2-[(2-phenoxyacetyl)amino]ethyl]carbamate?
The canonical SMILES for butyl N-[2-[(2-phenoxyacetyl)amino]ethyl]carbamate is CCCCOC(=O)NCCNC(=O)COc1ccccc1.
What is the InChIKey of butyl N-[2-[(2-phenoxyacetyl)amino]ethyl]carbamate?
The InChIKey is QOOYRISILLOGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-2-3-11-20-15(19)17-10-9-16-14(18)12-21-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H,16,18)(H,17,19).
What are the key properties of butyl N-[2-[(2-phenoxyacetyl)amino]ethyl]carbamate?
butyl N-[2-[(2-phenoxyacetyl)amino]ethyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[2-[(2-phenoxyacetyl)amino]ethyl]carbamate is sourced from PubChem (CID 108573944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).