N-[(4-chloro-3-methylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide

C21H22ClNO3 — CID 58655122

IUPACN-[(4-chloro-3-methylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide
SMILESC#CCOc1ccc(CCC(=O)NCc2ccc(Cl)c(C)c2)cc1OC
InChIInChI=1S/C21H22ClNO3/c1-4-11-26-19-9-6-16(13-20(19)25-3)7-10-21(24)23-14-17-5-8-18(22)15(2)12-17/h1,5-6,8-9,12-13H,7,10-11,14H2,2-3H3,(H,23,24)
InChIKeyFCGGLASRGHHOAU-UHFFFAOYSA-N
MW371.86 g/mol
LogP3.92
Rot. Bonds8

About N-[(4-chloro-3-methylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide

N-[(4-chloro-3-methylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide (PubChem CID 58655122) has the molecular formula C21H22ClNO3 and a molecular weight of 371.86 g/mol. Its IUPAC name is N-[(4-chloro-3-methylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(4-chloro-3-methylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide
PubChem CID58655122
Molecular FormulaC21H22ClNO3
Molecular Weight371.86 g/mol
Exact Mass371.13
IUPAC NameN-[(4-chloro-3-methylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide
SMILESC#CCOc1ccc(CCC(=O)NCc2ccc(Cl)c(C)c2)cc1OC
InChIInChI=1S/C21H22ClNO3/c1-4-11-26-19-9-6-16(13-20(19)25-3)7-10-21(24)23-14-17-5-8-18(22)15(2)12-17/h1,5-6,8-9,12-13H,7,10-11,14H2,2-3H3,(H,23,24)
InChIKeyFCGGLASRGHHOAU-UHFFFAOYSA-N
XLogP3.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide
CID 143079492
3-(2-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide
CID 58655121
3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 46478795
3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100642767
N-(cyanomethyl)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)propanamide
CID 142980584
N-(cyanomethyl)-3-[3-(fluoromethoxy)-4-prop-2-ynoxyphenyl]propanamide
CID 142980593
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
N-[(4-chlorophenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide
CID 23087643
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 55931587
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
CID 110755878
N-[(4-chlorophenyl)methyl]-2-fluoro-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide
CID 23087644

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide?
The IUPAC name of N-[(4-chloro-3-methylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide (CID 58655122) is N-[(4-chloro-3-methylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide.
What is the SMILES notation for N-[(4-chloro-3-methylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide?
The canonical SMILES for N-[(4-chloro-3-methylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide is C#CCOc1ccc(CCC(=O)NCc2ccc(Cl)c(C)c2)cc1OC.
What is the InChIKey of N-[(4-chloro-3-methylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide?
The InChIKey is FCGGLASRGHHOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO3/c1-4-11-26-19-9-6-16(13-20(19)25-3)7-10-21(24)23-14-17-5-8-18(22)15(2)12-17/h1,5-6,8-9,12-13H,7,10-11,14H2,2-3H3,(H,23,24).
What are the key properties of N-[(4-chloro-3-methylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide?
N-[(4-chloro-3-methylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide has a molecular weight of 371.86 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide is sourced from PubChem (CID 58655122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).