[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] adamantane-2-carboxylate

C23H28N2O4 — CID 18280184

IUPAC[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] adamantane-2-carboxylate
SMILESO=C(COC(=O)C1C2CC3CC(C2)CC1C3)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C23H28N2O4/c26-20(24-19-3-1-2-15(11-19)22(27)25-18-4-5-18)12-29-23(28)21-16-7-13-6-14(9-16)10-17(21)8-13/h1-3,11,13-14,16-18,21H,4-10,12H2,(H,24,26)(H,25,27)
InChIKeyFLZBBCBPKKIXEJ-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.13
Rot. Bonds6

About [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] adamantane-2-carboxylate

[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] adamantane-2-carboxylate (PubChem CID 18280184) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] adamantane-2-carboxylate.

Molecular Properties

Compound Name[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] adamantane-2-carboxylate
PubChem CID18280184
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] adamantane-2-carboxylate
SMILESO=C(COC(=O)C1C2CC3CC(C2)CC1C3)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C23H28N2O4/c26-20(24-19-3-1-2-15(11-19)22(27)25-18-4-5-18)12-29-23(28)21-16-7-13-6-14(9-16)10-17(21)8-13/h1-3,11,13-14,16-18,21H,4-10,12H2,(H,24,26)(H,25,27)
InChIKeyFLZBBCBPKKIXEJ-UHFFFAOYSA-N
XLogP3.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopropylcarbamoyl)phenyl]adamantane-2-carboxamide
CID 51241953
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] cyclohex-3-ene-1-carboxylate
CID 46668098
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-butylcyclohexane-1-carboxylate
CID 42151008
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 42039111
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide
CID 168520744
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 35051099
[2-(2,6-dichloroanilino)-2-oxoethyl] adamantane-2-carboxylate
CID 8518626
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide
CID 46603028
N-cyclopropyl-3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 24581450
methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 42157013
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 24567536

Frequently Asked Questions

What is the IUPAC name of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] adamantane-2-carboxylate?
The IUPAC name of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] adamantane-2-carboxylate (CID 18280184) is [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] adamantane-2-carboxylate.
What is the SMILES notation for [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] adamantane-2-carboxylate?
The canonical SMILES for [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] adamantane-2-carboxylate is O=C(COC(=O)C1C2CC3CC(C2)CC1C3)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] adamantane-2-carboxylate?
The InChIKey is FLZBBCBPKKIXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c26-20(24-19-3-1-2-15(11-19)22(27)25-18-4-5-18)12-29-23(28)21-16-7-13-6-14(9-16)10-17(21)8-13/h1-3,11,13-14,16-18,21H,4-10,12H2,(H,24,26)(H,25,27).
What are the key properties of [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] adamantane-2-carboxylate?
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] adamantane-2-carboxylate has a molecular weight of 396.49 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] adamantane-2-carboxylate is sourced from PubChem (CID 18280184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).