N-[2,6-di(propan-2-yl)phenyl]-2-(1-hydroxycyclopentyl)acetamide

C19H29NO2 — CID 111432461

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CC1(O)CCCC1
InChIInChI=1S/C19H29NO2/c1-13(2)15-8-7-9-16(14(3)4)18(15)20-17(21)12-19(22)10-5-6-11-19/h7-9,13-14,22H,5-6,10-12H2,1-4H3,(H,20,21)
InChIKeyNIQVQPBCRQNMSL-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.57
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-2-(1-hydroxycyclopentyl)acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-(1-hydroxycyclopentyl)acetamide (PubChem CID 111432461) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(1-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
PubChem CID111432461
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CC1(O)CCCC1
InChIInChI=1S/C19H29NO2/c1-13(2)15-8-7-9-16(14(3)4)18(15)20-17(21)12-19(22)10-5-6-11-19/h7-9,13-14,22H,5-6,10-12H2,1-4H3,(H,20,21)
InChIKeyNIQVQPBCRQNMSL-UHFFFAOYSA-N
XLogP4.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-hydroxycyclopentyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 111720133
2-(1-hydroxycyclohexyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 111720134
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103405
2-(1-aminocyclopentyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 64683534
N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 109011721
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430473
2-(1-hydroxycyclopentyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 75386664
2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8583845
2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide
CID 111536466
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide
CID 108951516

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(1-hydroxycyclopentyl)acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(1-hydroxycyclopentyl)acetamide (CID 111432461) is N-[2,6-di(propan-2-yl)phenyl]-2-(1-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(1-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(1-hydroxycyclopentyl)acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CC1(O)CCCC1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(1-hydroxycyclopentyl)acetamide?
The InChIKey is NIQVQPBCRQNMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-13(2)15-8-7-9-16(14(3)4)18(15)20-17(21)12-19(22)10-5-6-11-19/h7-9,13-14,22H,5-6,10-12H2,1-4H3,(H,20,21).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(1-hydroxycyclopentyl)acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-(1-hydroxycyclopentyl)acetamide has a molecular weight of 303.45 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-(1-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 111432461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).