N-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]pentanamide

C22H27ClN2O4 — CID 2236777

IUPACN-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C22H27ClN2O4/c1-5-6-7-20(26)25-18-13-10-16(14-19(18)28-4)24-21(27)22(2,3)29-17-11-8-15(23)9-12-17/h8-14H,5-7H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyHRMPAJOOXIFNKJ-UHFFFAOYSA-N
MW418.92 g/mol
LogP5.27
Rot. Bonds9

About N-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]pentanamide

N-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]pentanamide (PubChem CID 2236777) has the molecular formula C22H27ClN2O4 and a molecular weight of 418.92 g/mol. Its IUPAC name is N-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]pentanamide
PubChem CID2236777
Molecular FormulaC22H27ClN2O4
Molecular Weight418.92 g/mol
Exact Mass418.17
IUPAC NameN-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C22H27ClN2O4/c1-5-6-7-20(26)25-18-13-10-16(14-19(18)28-4)24-21(27)22(2,3)29-17-11-8-15(23)9-12-17/h8-14H,5-7H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyHRMPAJOOXIFNKJ-UHFFFAOYSA-N
XLogP5.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.92
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(butanoylamino)-3-chlorophenyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 30309064
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
N-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 2237008
4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2932391
N-[4-[3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoylamino]-2-methoxyphenyl]pentanamide
CID 4660294
3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2178714
N-[4-(methanesulfonamido)-2-methoxyphenyl]pentanamide
CID 134990532
3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2236592
N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide
CID 2210417
2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide
CID 887329
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
2-chloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide
CID 21215486

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]pentanamide?
The IUPAC name of N-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]pentanamide (CID 2236777) is N-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]pentanamide.
What is the SMILES notation for N-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]pentanamide?
The canonical SMILES for N-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]pentanamide is CCCCC(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of N-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]pentanamide?
The InChIKey is HRMPAJOOXIFNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4/c1-5-6-7-20(26)25-18-13-10-16(14-19(18)28-4)24-21(27)22(2,3)29-17-11-8-15(23)9-12-17/h8-14H,5-7H2,1-4H3,(H,24,27)(H,25,26).
What are the key properties of N-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]pentanamide?
N-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]pentanamide has a molecular weight of 418.92 g/mol, XLogP of 5.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-methoxyphenyl]pentanamide is sourced from PubChem (CID 2236777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).