2-hydroxyethyl N-(3-pyrrolidin-1-ylphenyl)carbamate

C13H18N2O3 — CID 79345921

IUPAC2-hydroxyethyl N-(3-pyrrolidin-1-ylphenyl)carbamate
SMILESO=C(Nc1cccc(N2CCCC2)c1)OCCO
InChIInChI=1S/C13H18N2O3/c16-8-9-18-13(17)14-11-4-3-5-12(10-11)15-6-1-2-7-15/h3-5,10,16H,1-2,6-9H2,(H,14,17)
InChIKeyMBHGQJDICYZQRJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.83
Rot. Bonds4

About 2-hydroxyethyl N-(3-pyrrolidin-1-ylphenyl)carbamate

2-hydroxyethyl N-(3-pyrrolidin-1-ylphenyl)carbamate (PubChem CID 79345921) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-hydroxyethyl N-(3-pyrrolidin-1-ylphenyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(3-pyrrolidin-1-ylphenyl)carbamate
PubChem CID79345921
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-hydroxyethyl N-(3-pyrrolidin-1-ylphenyl)carbamate
SMILESO=C(Nc1cccc(N2CCCC2)c1)OCCO
InChIInChI=1S/C13H18N2O3/c16-8-9-18-13(17)14-11-4-3-5-12(10-11)15-6-1-2-7-15/h3-5,10,16H,1-2,6-9H2,(H,14,17)
InChIKeyMBHGQJDICYZQRJ-UHFFFAOYSA-N
XLogP1.83
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130
2-hydroxyethyl N-(4-piperidin-1-ylphenyl)carbamate
CID 79349659
2-hydroxyethyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
CID 79345593
2-(2-aminoethoxy)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 79473484
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
2-hydroxyethyl N-(3-hydroxyphenyl)carbamate
CID 79345264
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 60928462
ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate
CID 61062260
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793
N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119892181

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(3-pyrrolidin-1-ylphenyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(3-pyrrolidin-1-ylphenyl)carbamate (CID 79345921) is 2-hydroxyethyl N-(3-pyrrolidin-1-ylphenyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(3-pyrrolidin-1-ylphenyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(3-pyrrolidin-1-ylphenyl)carbamate is O=C(Nc1cccc(N2CCCC2)c1)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(3-pyrrolidin-1-ylphenyl)carbamate?
The InChIKey is MBHGQJDICYZQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-8-9-18-13(17)14-11-4-3-5-12(10-11)15-6-1-2-7-15/h3-5,10,16H,1-2,6-9H2,(H,14,17).
What are the key properties of 2-hydroxyethyl N-(3-pyrrolidin-1-ylphenyl)carbamate?
2-hydroxyethyl N-(3-pyrrolidin-1-ylphenyl)carbamate has a molecular weight of 250.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(3-pyrrolidin-1-ylphenyl)carbamate is sourced from PubChem (CID 79345921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).