2-N-(cyclopropylmethyl)-2-N-(1-phenylethyl)-1H-pyrrole-2,4-dicarboxamide

C18H21N3O2 — CID 71862208

IUPAC2-N-(cyclopropylmethyl)-2-N-(1-phenylethyl)-1H-pyrrole-2,4-dicarboxamide
SMILESCC(c1ccccc1)N(CC1CC1)C(=O)c1cc(C(N)=O)c[nH]1
InChIInChI=1S/C18H21N3O2/c1-12(14-5-3-2-4-6-14)21(11-13-7-8-13)18(23)16-9-15(10-20-16)17(19)22/h2-6,9-10,12-13,20H,7-8,11H2,1H3,(H2,19,22)
InChIKeyZZICDSFFKSIABQ-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.73
Rot. Bonds6

About 2-N-(cyclopropylmethyl)-2-N-(1-phenylethyl)-1H-pyrrole-2,4-dicarboxamide

2-N-(cyclopropylmethyl)-2-N-(1-phenylethyl)-1H-pyrrole-2,4-dicarboxamide (PubChem CID 71862208) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-2-N-(1-phenylethyl)-1H-pyrrole-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-2-N-(1-phenylethyl)-1H-pyrrole-2,4-dicarboxamide
PubChem CID71862208
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-N-(cyclopropylmethyl)-2-N-(1-phenylethyl)-1H-pyrrole-2,4-dicarboxamide
SMILESCC(c1ccccc1)N(CC1CC1)C(=O)c1cc(C(N)=O)c[nH]1
InChIInChI=1S/C18H21N3O2/c1-12(14-5-3-2-4-6-14)21(11-13-7-8-13)18(23)16-9-15(10-20-16)17(19)22/h2-6,9-10,12-13,20H,7-8,11H2,1H3,(H2,19,22)
InChIKeyZZICDSFFKSIABQ-UHFFFAOYSA-N
XLogP2.73
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)benzamide;hydrochloride
CID 119799547
1-(cyclobutylmethyl)-3-(4-hydroxycyclohexyl)-1-(1-phenylethyl)urea
CID 111450422
4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide
CID 119332711
N-[4-[cyclopropylmethyl-[(1R)-1-phenylethyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 95293621
4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide;hydrochloride
CID 119332710
1-(cyclopropylmethyl)-3-[1-[3-(methanesulfonamido)phenyl]ethyl]-1-(1-phenylethyl)urea
CID 86876840
1-(cyclopropylmethyl)-3-[1-(3,4-difluorophenyl)ethyl]-1-(1-phenylethyl)urea
CID 86876537
3-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119799535
4-acetyl-N-(cyclohexylmethyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 36555948
N-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide
CID 119799552
2-N-[(2R,3R)-3-(4-chlorophenyl)butan-2-yl]-2-N-methyl-1H-pyrrole-2,4-dicarboxamide
CID 124609410
3-carbamothioyl-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 55000146

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-2-N-(1-phenylethyl)-1H-pyrrole-2,4-dicarboxamide?
The IUPAC name of 2-N-(cyclopropylmethyl)-2-N-(1-phenylethyl)-1H-pyrrole-2,4-dicarboxamide (CID 71862208) is 2-N-(cyclopropylmethyl)-2-N-(1-phenylethyl)-1H-pyrrole-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-2-N-(1-phenylethyl)-1H-pyrrole-2,4-dicarboxamide?
The canonical SMILES for 2-N-(cyclopropylmethyl)-2-N-(1-phenylethyl)-1H-pyrrole-2,4-dicarboxamide is CC(c1ccccc1)N(CC1CC1)C(=O)c1cc(C(N)=O)c[nH]1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-2-N-(1-phenylethyl)-1H-pyrrole-2,4-dicarboxamide?
The InChIKey is ZZICDSFFKSIABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12(14-5-3-2-4-6-14)21(11-13-7-8-13)18(23)16-9-15(10-20-16)17(19)22/h2-6,9-10,12-13,20H,7-8,11H2,1H3,(H2,19,22).
What are the key properties of 2-N-(cyclopropylmethyl)-2-N-(1-phenylethyl)-1H-pyrrole-2,4-dicarboxamide?
2-N-(cyclopropylmethyl)-2-N-(1-phenylethyl)-1H-pyrrole-2,4-dicarboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-2-N-(1-phenylethyl)-1H-pyrrole-2,4-dicarboxamide is sourced from PubChem (CID 71862208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).