N-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide

C20H29N5O3 — CID 9438309

IUPACN-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)c(C)c1
InChIInChI=1S/C20H29N5O3/c1-14-3-6-17(15(2)11-14)22-20(28)23-19(27)13-25-9-7-24(8-10-25)12-18(26)21-16-4-5-16/h3,6,11,16H,4-5,7-10,12-13H2,1-2H3,(H,21,26)(H2,22,23,27,28)
InChIKeyGXDPEYHQDDPQQT-UHFFFAOYSA-N
MW387.48 g/mol
LogP0.85
Rot. Bonds6

About N-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 9438309) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID9438309
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC NameN-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)c(C)c1
InChIInChI=1S/C20H29N5O3/c1-14-3-6-17(15(2)11-14)22-20(28)23-19(27)13-25-9-7-24(8-10-25)12-18(26)21-16-4-5-16/h3,6,11,16H,4-5,7-10,12-13H2,1-2H3,(H,21,26)(H2,22,23,27,28)
InChIKeyGXDPEYHQDDPQQT-UHFFFAOYSA-N
XLogP0.85
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 18083622
1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907840
ethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932030
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 9362056
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
CID 86928300
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 26666784
N-cyclopropyl-2-[4-[(4-methoxy-2-methylphenyl)carbamoylamino]piperidin-1-yl]acetamide
CID 118777190
2-(2,6-dimethylmorpholin-4-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 51170490
N-cyclopropyl-N'-(2,4-dimethylphenyl)propanediamide
CID 108941058
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 8591190
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27186213
2-[4,7-bis(carboxymethyl)-10-[2-(2,4-dimethylanilino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 58121003

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide (CID 9438309) is N-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide is Cc1ccc(NC(=O)NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)c(C)c1.
What is the InChIKey of N-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is GXDPEYHQDDPQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-14-3-6-17(15(2)11-14)22-20(28)23-19(27)13-25-9-7-24(8-10-25)12-18(26)21-16-4-5-16/h3,6,11,16H,4-5,7-10,12-13H2,1-2H3,(H,21,26)(H2,22,23,27,28).
What are the key properties of N-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 387.48 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9438309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).