N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-oxoimidazolidine-1-carboxamide

C16H17N3O3 — CID 100699848

IUPACN-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-oxoimidazolidine-1-carboxamide
SMILESO=C1NCCN1C(=O)NC[C@@H](O)c1cccc2ccccc12
InChIInChI=1S/C16H17N3O3/c20-14(10-18-16(22)19-9-8-17-15(19)21)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,14,20H,8-10H2,(H,17,21)(H,18,22)/t14-/m1/s1
InChIKeyYTFXJOZSSYYALL-CQSZACIVSA-N
MW299.33 g/mol
LogP1.61
Rot. Bonds3

About N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-oxoimidazolidine-1-carboxamide

N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-oxoimidazolidine-1-carboxamide (PubChem CID 100699848) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-oxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-oxoimidazolidine-1-carboxamide
PubChem CID100699848
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-oxoimidazolidine-1-carboxamide
SMILESO=C1NCCN1C(=O)NC[C@@H](O)c1cccc2ccccc12
InChIInChI=1S/C16H17N3O3/c20-14(10-18-16(22)19-9-8-17-15(19)21)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,14,20H,8-10H2,(H,17,21)(H,18,22)/t14-/m1/s1
InChIKeyYTFXJOZSSYYALL-CQSZACIVSA-N
XLogP1.61
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide
CID 56764107
N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-oxoimidazolidine-1-carboxamide
CID 71803847
N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxoimidazolidine-1-carboxamide
CID 100696956
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]cyclopentanecarboxamide
CID 95367123
1-benzhydryl-3-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]urea
CID 95367329
2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)acetamide
CID 90497331
(3S)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 129369988
(3R)-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 129369987
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(4-phenylphenyl)acetamide
CID 95367196
N'-(4-acetamidophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)oxamide
CID 90497463
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497488
2-(benzylamino)-1-naphthalen-1-ylethanol
CID 126801118

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-oxoimidazolidine-1-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-oxoimidazolidine-1-carboxamide (CID 100699848) is N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-oxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-oxoimidazolidine-1-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-oxoimidazolidine-1-carboxamide is O=C1NCCN1C(=O)NC[C@@H](O)c1cccc2ccccc12.
What is the InChIKey of N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-oxoimidazolidine-1-carboxamide?
The InChIKey is YTFXJOZSSYYALL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-14(10-18-16(22)19-9-8-17-15(19)21)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,14,20H,8-10H2,(H,17,21)(H,18,22)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-oxoimidazolidine-1-carboxamide?
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-oxoimidazolidine-1-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-oxoimidazolidine-1-carboxamide is sourced from PubChem (CID 100699848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).