methyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate

C14H20N2O2 — CID 142235373

IUPACmethyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate
SMILESCOC(=O)N(CCN1CCCC1)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-18-14(17)16(13-7-3-2-4-8-13)12-11-15-9-5-6-10-15/h2-4,7-8H,5-6,9-12H2,1H3
InChIKeyXFSCWZRAHKYZNP-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.36
Rot. Bonds4

About methyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate

methyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate (PubChem CID 142235373) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate.

Molecular Properties

Compound Namemethyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate
PubChem CID142235373
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate
SMILESCOC(=O)N(CCN1CCCC1)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-18-14(17)16(13-7-3-2-4-8-13)12-11-15-9-5-6-10-15/h2-4,7-8H,5-6,9-12H2,1H3
InChIKeyXFSCWZRAHKYZNP-UHFFFAOYSA-N
XLogP2.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 23882390
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
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N-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 88546944
methyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-phenylcarbamate
CID 155963850
2-methoxy-N-phenyl-N-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 171479446
N-phenyl-N-(2-piperidin-1-ylethyl)aniline
CID 3064300
methyl N-(5-oxopentyl)-N-phenylcarbamate
CID 174518980
2-[N-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]acetic acid
CID 62634827
3-[1-[phenyl(2-pyrrolidin-1-ylethyl)carbamoyl]cyclopropyl]benzoic acid
CID 66685385
N-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 91503800
N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide
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N-methyl-N-phenyl-3-piperidin-1-ylpropanamide
CID 110688340

Frequently Asked Questions

What is the IUPAC name of methyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate?
The IUPAC name of methyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate (CID 142235373) is methyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate.
What is the SMILES notation for methyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate?
The canonical SMILES for methyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate is COC(=O)N(CCN1CCCC1)c1ccccc1.
What is the InChIKey of methyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate?
The InChIKey is XFSCWZRAHKYZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-14(17)16(13-7-3-2-4-8-13)12-11-15-9-5-6-10-15/h2-4,7-8H,5-6,9-12H2,1H3.
What are the key properties of methyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate?
methyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate is sourced from PubChem (CID 142235373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).