3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide

C23H29ClN2O3 — CID 35041734

IUPAC3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCCCCOc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)c1
InChIInChI=1S/C23H29ClN2O3/c1-2-3-13-29-19-8-6-7-18(16-19)23(27)25-17-22(26-11-14-28-15-12-26)20-9-4-5-10-21(20)24/h4-10,16,22H,2-3,11-15,17H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyCPEJVCFCQLCXBM-QFIPXVFZSA-N
MW416.95 g/mol
LogP4.32
Rot. Bonds9

About 3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide

3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 35041734) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is 3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide
PubChem CID35041734
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC Name3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCCCCOc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)c1
InChIInChI=1S/C23H29ClN2O3/c1-2-3-13-29-19-8-6-7-18(16-19)23(27)25-17-22(26-11-14-28-15-12-26)20-9-4-5-10-21(20)24/h4-10,16,22H,2-3,11-15,17H2,1H3,(H,25,27)/t22-/m0/s1
InChIKeyCPEJVCFCQLCXBM-QFIPXVFZSA-N
XLogP4.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-propoxybenzamide
CID 35041715
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide
CID 17012199
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide;hydrochloride
CID 52984554
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-propan-2-yloxybenzamide
CID 35041682
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3,4,5-trimethoxybenzamide
CID 35041728
3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 46398915
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 43044692
3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 45133052
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 35041740
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(3-methylphenoxy)acetamide
CID 35341646
3-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 43843601
2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide
CID 55609908

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide (CID 35041734) is 3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide is CCCCOc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)c1.
What is the InChIKey of 3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is CPEJVCFCQLCXBM-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H29ClN2O3/c1-2-3-13-29-19-8-6-7-18(16-19)23(27)25-17-22(26-11-14-28-15-12-26)20-9-4-5-10-21(20)24/h4-10,16,22H,2-3,11-15,17H2,1H3,(H,25,27)/t22-/m0/s1.
What are the key properties of 3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide?
3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 416.95 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 35041734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).