N-[(2-hydroxycyclopentyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

C16H26N2O2 — CID 111471329

IUPACN-[(2-hydroxycyclopentyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCC2O)c(C)n1C(C)C
InChIInChI=1S/C16H26N2O2/c1-10(2)18-11(3)8-14(12(18)4)16(20)17-9-13-6-5-7-15(13)19/h8,10,13,15,19H,5-7,9H2,1-4H3,(H,17,20)
InChIKeyMINLNVRHGKZLCA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.58
Rot. Bonds4

About N-[(2-hydroxycyclopentyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

N-[(2-hydroxycyclopentyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 111471329) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID111471329
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCC2O)c(C)n1C(C)C
InChIInChI=1S/C16H26N2O2/c1-10(2)18-11(3)8-14(12(18)4)16(20)17-9-13-6-5-7-15(13)19/h8,10,13,15,19H,5-7,9H2,1-4H3,(H,17,20)
InChIKeyMINLNVRHGKZLCA-UHFFFAOYSA-N
XLogP2.58
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R,5S)-5-carbamoyloxolan-2-yl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 97067758
3-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]-2-methylpropanoic acid
CID 119237626
N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 119997726
N-[(2-hydroxycyclopentyl)methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113247272
N-[(2-hydroxycyclopentyl)methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111540624
N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide
CID 70846071
2-[2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242611
2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide
CID 167757534
N-[(2-hydroxycyclopentyl)methyl]-5-methylfuran-3-carboxamide
CID 114821777
N-[(2-hydroxycyclopentyl)methyl]-2-iodo-3-methylbenzamide
CID 103696159
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 82828909
N-[(2-hydroxycyclopentyl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 111464001

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (CID 111471329) is N-[(2-hydroxycyclopentyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is Cc1cc(C(=O)NCC2CCCC2O)c(C)n1C(C)C.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is MINLNVRHGKZLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-10(2)18-11(3)8-14(12(18)4)16(20)17-9-13-6-5-7-15(13)19/h8,10,13,15,19H,5-7,9H2,1-4H3,(H,17,20).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
N-[(2-hydroxycyclopentyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 111471329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).