N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide

C16H21NO3 — CID 106704048

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(NC1(CO)CCOCC1)C1Cc2ccccc2C1
InChIInChI=1S/C16H21NO3/c18-11-16(5-7-20-8-6-16)17-15(19)14-9-12-3-1-2-4-13(12)10-14/h1-4,14,18H,5-11H2,(H,17,19)
InChIKeyJPFWSSFMQQSNSS-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.06
Rot. Bonds3

About N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106704048) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106704048
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(NC1(CO)CCOCC1)C1Cc2ccccc2C1
InChIInChI=1S/C16H21NO3/c18-11-16(5-7-20-8-6-16)17-15(19)14-9-12-3-1-2-4-13(12)10-14/h1-4,14,18H,5-11H2,(H,17,19)
InChIKeyJPFWSSFMQQSNSS-UHFFFAOYSA-N
XLogP1.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893203
N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106298865
N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 106299027
N-[1-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901441
4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide
CID 106298573
N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
CID 103954237
N-[4-(hydroxymethyl)oxan-4-yl]-3-phenylprop-2-ynamide
CID 104630641
N-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide
CID 104630422
N-[4-(chloromethyl)oxan-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106300784
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide
CID 104630361
[4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)oxan-4-yl]methanol
CID 103766545

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide (CID 106704048) is N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide is O=C(NC1(CO)CCOCC1)C1Cc2ccccc2C1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is JPFWSSFMQQSNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-11-16(5-7-20-8-6-16)17-15(19)14-9-12-3-1-2-4-13(12)10-14/h1-4,14,18H,5-11H2,(H,17,19).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106704048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).