1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea

C15H21ClN2O3 — CID 96566001

IUPAC1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCO[C@@H](CNC(=O)NCC1(O)CCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-21-13(11-4-2-5-12(16)8-11)9-17-14(19)18-10-15(20)6-3-7-15/h2,4-5,8,13,20H,3,6-7,9-10H2,1H3,(H2,17,18,19)/t13-/m0/s1
InChIKeyBOJPOSDQVYDGPG-ZDUSSCGKSA-N
MW312.80 g/mol
LogP2.24
Rot. Bonds6

About 1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea

1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 96566001) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID96566001
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCO[C@@H](CNC(=O)NCC1(O)CCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-21-13(11-4-2-5-12(16)8-11)9-17-14(19)18-10-15(20)6-3-7-15/h2,4-5,8,13,20H,3,6-7,9-10H2,1H3,(H2,17,18,19)/t13-/m0/s1
InChIKeyBOJPOSDQVYDGPG-ZDUSSCGKSA-N
XLogP2.24
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-[[1-(methylamino)cyclobutyl]methyl]urea
CID 138047573
1-[1-(3-chlorophenyl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437923
1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111508956
(2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylpropanamide
CID 96517717
3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea
CID 95969088
2-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]acetamide;hydrochloride
CID 119337049
N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide
CID 71993870
N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide
CID 119807214
N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120636634
1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936464
1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
CID 90623238
N-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide
CID 134068515

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea (CID 96566001) is 1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea is CO[C@@H](CNC(=O)NCC1(O)CCC1)c1cccc(Cl)c1.
What is the InChIKey of 1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is BOJPOSDQVYDGPG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-21-13(11-4-2-5-12(16)8-11)9-17-14(19)18-10-15(20)6-3-7-15/h2,4-5,8,13,20H,3,6-7,9-10H2,1H3,(H2,17,18,19)/t13-/m0/s1.
What are the key properties of 1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 312.80 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 96566001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).