N-[1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-4-methyl-1H-pyrrole-3-carboxamide

C15H24N2O2 — CID 126827767

IUPACN-[1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-4-methyl-1H-pyrrole-3-carboxamide
SMILESCc1c[nH]cc1C(=O)NC(C(C)C)C1(CO)CCC1
InChIInChI=1S/C15H24N2O2/c1-10(2)13(15(9-18)5-4-6-15)17-14(19)12-8-16-7-11(12)3/h7-8,10,13,16,18H,4-6,9H2,1-3H3,(H,17,19)
InChIKeyWQDUFIBMWPRTGW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.24
Rot. Bonds5

About N-[1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-4-methyl-1H-pyrrole-3-carboxamide

N-[1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-4-methyl-1H-pyrrole-3-carboxamide (PubChem CID 126827767) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-4-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-4-methyl-1H-pyrrole-3-carboxamide
PubChem CID126827767
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-4-methyl-1H-pyrrole-3-carboxamide
SMILESCc1c[nH]cc1C(=O)NC(C(C)C)C1(CO)CCC1
InChIInChI=1S/C15H24N2O2/c1-10(2)13(15(9-18)5-4-6-15)17-14(19)12-8-16-7-11(12)3/h7-8,10,13,16,18H,4-6,9H2,1-3H3,(H,17,19)
InChIKeyWQDUFIBMWPRTGW-UHFFFAOYSA-N
XLogP2.24
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]-1H-pyrrole-3-carboxamide
CID 126819436
N-(5-hydroxy-4,4-dimethylpentyl)-1H-pyrrole-3-carboxamide
CID 141409295
N-[(R)-(trans-3-hydroxycyclobutyl)(4-piperidinyl)methyl]-1H-pyrrole-3-carboxamide hydrochloride
CID 91771112
N-[(R)-(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-1H-pyrrole-3-carboxamide
CID 100041766
N-[(S)-(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-1H-pyrrole-3-carboxamide
CID 100041767
N-[2-(hydroxymethyl)cyclohexyl]-1H-pyrrole-3-carboxamide
CID 109870083
N-[2-(hydroxymethyl)cycloheptyl]-1H-pyrrole-3-carboxamide
CID 109871188
N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrrole-3-carboxamide
CID 109921807
N-(1-hydroxy-4,4-dimethylpentan-2-yl)-1H-pyrrole-3-carboxamide
CID 109944028
N-[4-(2-hydroxyethyl)cyclohexyl]-1H-pyrrole-3-carboxamide
CID 116817217
N-[4-(2-hydroxyethyl)cyclohexyl]-N-methyl-1H-pyrrole-3-carboxamide
CID 116817253
4-methyl-2-[(4-methyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid
CID 119188489

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-4-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-4-methyl-1H-pyrrole-3-carboxamide (CID 126827767) is N-[1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-4-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-4-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-4-methyl-1H-pyrrole-3-carboxamide is Cc1c[nH]cc1C(=O)NC(C(C)C)C1(CO)CCC1.
What is the InChIKey of N-[1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-4-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is WQDUFIBMWPRTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)13(15(9-18)5-4-6-15)17-14(19)12-8-16-7-11(12)3/h7-8,10,13,16,18H,4-6,9H2,1-3H3,(H,17,19).
What are the key properties of N-[1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-4-methyl-1H-pyrrole-3-carboxamide?
N-[1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-4-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-4-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 126827767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).