N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide

C21H25ClN2O3 — CID 110305545

IUPACN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide
SMILESCOc1ccc(CCCCC(=O)NCC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H25ClN2O3/c1-27-19-12-8-16(9-13-19)4-2-3-5-20(25)24-15-21(26)23-14-17-6-10-18(22)11-7-17/h6-13H,2-5,14-15H2,1H3,(H,23,26)(H,24,25)
InChIKeyYBWTVCDPRXAPMQ-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.49
Rot. Bonds10

About N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide (PubChem CID 110305545) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide
PubChem CID110305545
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide
SMILESCOc1ccc(CCCCC(=O)NCC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H25ClN2O3/c1-27-19-12-8-16(9-13-19)4-2-3-5-20(25)24-15-21(26)23-14-17-6-10-18(22)11-7-17/h6-13H,2-5,14-15H2,1H3,(H,23,26)(H,24,25)
InChIKeyYBWTVCDPRXAPMQ-UHFFFAOYSA-N
XLogP3.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
CID 71661021
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 110285271
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide
CID 110285273
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022433
4-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide
CID 110307812
5-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pentanamide
CID 110297825
N-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide
CID 110305405
4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide
CID 110410210

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide (CID 110305545) is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide is COc1ccc(CCCCC(=O)NCC(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide?
The InChIKey is YBWTVCDPRXAPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-27-19-12-8-16(9-13-19)4-2-3-5-20(25)24-15-21(26)23-14-17-6-10-18(22)11-7-17/h6-13H,2-5,14-15H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide?
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide has a molecular weight of 388.90 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide is sourced from PubChem (CID 110305545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).