N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide

C16H32N2O2 — CID 111507392

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCC(C)CC1CCCN1C(=O)NCC(C)(C)CC(C)O
InChIInChI=1S/C16H32N2O2/c1-12(2)9-14-7-6-8-18(14)15(20)17-11-16(4,5)10-13(3)19/h12-14,19H,6-11H2,1-5H3,(H,17,20)
InChIKeyFHRKOXYTIPIWTL-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.00
Rot. Bonds6

About N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide

N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide (PubChem CID 111507392) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide
PubChem CID111507392
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCC(C)CC1CCCN1C(=O)NCC(C)(C)CC(C)O
InChIInChI=1S/C16H32N2O2/c1-12(2)9-14-7-6-8-18(14)15(20)17-11-16(4,5)10-13(3)19/h12-14,19H,6-11H2,1-5H3,(H,17,20)
InChIKeyFHRKOXYTIPIWTL-UHFFFAOYSA-N
XLogP3.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 111507564
(2S)-2-[(2R)-2-hydroxypropyl]-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide
CID 97240751
N-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide
CID 111507279
(2R,6R)-N-[(4S)-4-hydroxy-2,2-dimethylpentyl]-2,6-dimethylazepane-1-carboxamide
CID 124865148
N-(4-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-carboxamide
CID 111507377
2-(2-hydroxypropyl)-N-methylpyrrolidine-1-carboxamide
CID 115481757
4-[[[2-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122019638
N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 111507311
N-(4-hydroxy-2,2-dimethylpentyl)-1-propanoylpiperidine-2-carboxamide
CID 111480417
4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide
CID 111507440
3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]urea
CID 111507577
N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 103837231

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide (CID 111507392) is N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide is CC(C)CC1CCCN1C(=O)NCC(C)(C)CC(C)O.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is FHRKOXYTIPIWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)9-14-7-6-8-18(14)15(20)17-11-16(4,5)10-13(3)19/h12-14,19H,6-11H2,1-5H3,(H,17,20).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide?
N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 284.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111507392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).