N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide

C21H26N4O3 — CID 8007471

IUPACN-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN2CCN(c3ccc(O)cc3)CC2)c(C)c1
InChIInChI=1S/C21H26N4O3/c1-15-3-8-19(16(2)13-15)22-21(28)23-20(27)14-24-9-11-25(12-10-24)17-4-6-18(26)7-5-17/h3-8,13,26H,9-12,14H2,1-2H3,(H2,22,23,27,28)
InChIKeySLTCKAKYLMVBJE-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.48
Rot. Bonds4

About N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide

N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide (PubChem CID 8007471) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
PubChem CID8007471
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN2CCN(c3ccc(O)cc3)CC2)c(C)c1
InChIInChI=1S/C21H26N4O3/c1-15-3-8-19(16(2)13-15)22-21(28)23-20(27)14-24-9-11-25(12-10-24)17-4-6-18(26)7-5-17/h3-8,13,26H,9-12,14H2,1-2H3,(H2,22,23,27,28)
InChIKeySLTCKAKYLMVBJE-UHFFFAOYSA-N
XLogP2.48
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide (CID 8007471) is N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide is Cc1ccc(NC(=O)NC(=O)CN2CCN(c3ccc(O)cc3)CC2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is SLTCKAKYLMVBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15-3-8-19(16(2)13-15)22-21(28)23-20(27)14-24-9-11-25(12-10-24)17-4-6-18(26)7-5-17/h3-8,13,26H,9-12,14H2,1-2H3,(H2,22,23,27,28).
What are the key properties of N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 8007471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).