methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate

C19H24Cl2N2O4 — CID 151469580

IUPACmethyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)NC(=O)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H24Cl2N2O4/c1-11(18(25)27-2)22-19(26)23-17(24)14(9-12-5-3-4-6-12)13-7-8-15(20)16(21)10-13/h7-8,10-12,14H,3-6,9H2,1-2H3,(H2,22,23,24,26)
InChIKeyPKEIDLXQYCGHFB-UHFFFAOYSA-N
MW415.32 g/mol
LogP4.04
Rot. Bonds6

About methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate

methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate (PubChem CID 151469580) has the molecular formula C19H24Cl2N2O4 and a molecular weight of 415.32 g/mol. Its IUPAC name is methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate
PubChem CID151469580
Molecular FormulaC19H24Cl2N2O4
Molecular Weight415.32 g/mol
Exact Mass414.11
IUPAC Namemethyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate
SMILESCOC(=O)C(C)NC(=O)NC(=O)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H24Cl2N2O4/c1-11(18(25)27-2)22-19(26)23-17(24)14(9-12-5-3-4-6-12)13-7-8-15(20)16(21)10-13/h7-8,10-12,14H,3-6,9H2,1-2H3,(H2,22,23,24,26)
InChIKeyPKEIDLXQYCGHFB-UHFFFAOYSA-N
XLogP4.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-cycloheptyl-2-(3,4-dichlorophenyl)propanoate
CID 46221151
N-carbamoyl-3-cyclopropyl-2-(3,4-dichlorophenyl)propanamide
CID 18626628
3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(methylcarbamothioyl)propanamide
CID 46223569
3-cyclopentyl-2-(3,4-dichlorophenyl)-N-(1,2,4-triazin-3-yl)propanamide;methane
CID 161265975
methyl 2-(3,4-dichlorophenyl)-4-oxobutanoate
CID 59856539
3-cyclohexyl-2-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 142018521
methyl 2-[3-chloro-4-[5-(trifluoromethyl)tetrazol-5-yl]phenyl]-3-cyclohexylpropanoate
CID 67484055
2-(4-bromophenyl)-3-cyclohexyl-N-(methylcarbamoyl)propanamide
CID 142018491
3-cyclopentyl-2-(3,4-dichlorophenyl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]propanamide
CID 67189739
methyl 2-(3,4-dichlorophenyl)propanoate
CID 11402033
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyrimidin-2-ylpropanamide
CID 22315196
[4-[3-cyclopentyl-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-2-nitrophenyl]methanesulfinic acid
CID 174372420

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate?
The IUPAC name of methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate (CID 151469580) is methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate.
What is the SMILES notation for methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate?
The canonical SMILES for methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate is COC(=O)C(C)NC(=O)NC(=O)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate?
The InChIKey is PKEIDLXQYCGHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O4/c1-11(18(25)27-2)22-19(26)23-17(24)14(9-12-5-3-4-6-12)13-7-8-15(20)16(21)10-13/h7-8,10-12,14H,3-6,9H2,1-2H3,(H2,22,23,24,26).
What are the key properties of methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate?
methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate has a molecular weight of 415.32 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-cyclopentyl-2-(3,4-dichlorophenyl)propanoyl]carbamoylamino]propanoate is sourced from PubChem (CID 151469580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).