N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-prop-2-enylbutanediamide

C24H29ClN4O4 — CID 3210764

IUPACN'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-prop-2-enylbutanediamide
SMILESC=CCN(C(=O)CCC(=O)Nc1cc(C)on1)C(C(=O)NC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H29ClN4O4/c1-3-14-29(22(31)13-12-21(30)27-20-15-16(2)33-28-20)23(17-8-10-18(25)11-9-17)24(32)26-19-6-4-5-7-19/h3,8-11,15,19,23H,1,4-7,12-14H2,2H3,(H,26,32)(H,27,28,30)
InChIKeyLORJQICPPRRGEL-UHFFFAOYSA-N
MW472.97 g/mol
LogP4.17
Rot. Bonds10

About N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-prop-2-enylbutanediamide

N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-prop-2-enylbutanediamide (PubChem CID 3210764) has the molecular formula C24H29ClN4O4 and a molecular weight of 472.97 g/mol. Its IUPAC name is N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-prop-2-enylbutanediamide.

Molecular Properties

Compound NameN'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-prop-2-enylbutanediamide
PubChem CID3210764
Molecular FormulaC24H29ClN4O4
Molecular Weight472.97 g/mol
Exact Mass472.19
IUPAC NameN'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-prop-2-enylbutanediamide
SMILESC=CCN(C(=O)CCC(=O)Nc1cc(C)on1)C(C(=O)NC1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H29ClN4O4/c1-3-14-29(22(31)13-12-21(30)27-20-15-16(2)33-28-20)23(17-8-10-18(25)11-9-17)24(32)26-19-6-4-5-7-19/h3,8-11,15,19,23H,1,4-7,12-14H2,2H3,(H,26,32)(H,27,28,30)
InChIKeyLORJQICPPRRGEL-UHFFFAOYSA-N
XLogP4.17
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-prop-2-enylbutanediamide?
The IUPAC name of N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-prop-2-enylbutanediamide (CID 3210764) is N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-prop-2-enylbutanediamide.
What is the SMILES notation for N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-prop-2-enylbutanediamide?
The canonical SMILES for N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-prop-2-enylbutanediamide is C=CCN(C(=O)CCC(=O)Nc1cc(C)on1)C(C(=O)NC1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-prop-2-enylbutanediamide?
The InChIKey is LORJQICPPRRGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O4/c1-3-14-29(22(31)13-12-21(30)27-20-15-16(2)33-28-20)23(17-8-10-18(25)11-9-17)24(32)26-19-6-4-5-7-19/h3,8-11,15,19,23H,1,4-7,12-14H2,2H3,(H,26,32)(H,27,28,30).
What are the key properties of N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-prop-2-enylbutanediamide?
N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-prop-2-enylbutanediamide has a molecular weight of 472.97 g/mol, XLogP of 4.17, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-prop-2-enylbutanediamide is sourced from PubChem (CID 3210764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).