N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-2-methyl-1H-pyrrole-3-carboxamide

C17H20N2O2 — CID 75384538

IUPACN-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)N(Cc1ccc(O)cc1)CC1CC1
InChIInChI=1S/C17H20N2O2/c1-12-16(8-9-18-12)17(21)19(10-13-2-3-13)11-14-4-6-15(20)7-5-14/h4-9,13,18,20H,2-3,10-11H2,1H3
InChIKeyIJBMQISVOZIUAY-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.08
Rot. Bonds5

About N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-2-methyl-1H-pyrrole-3-carboxamide

N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 75384538) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID75384538
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)N(Cc1ccc(O)cc1)CC1CC1
InChIInChI=1S/C17H20N2O2/c1-12-16(8-9-18-12)17(21)19(10-13-2-3-13)11-14-4-6-15(20)7-5-14/h4-9,13,18,20H,2-3,10-11H2,1H3
InChIKeyIJBMQISVOZIUAY-UHFFFAOYSA-N
XLogP3.08
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-2-methyl-1H-pyrrole-3-carboxamide (CID 75384538) is N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]ccc1C(=O)N(Cc1ccc(O)cc1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is IJBMQISVOZIUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-16(8-9-18-12)17(21)19(10-13-2-3-13)11-14-4-6-15(20)7-5-14/h4-9,13,18,20H,2-3,10-11H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-2-methyl-1H-pyrrole-3-carboxamide?
N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 75384538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).