N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide

C16H17NO3 — CID 97042651

IUPACN-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide
SMILESO=C(NC[C@]1(O)CCc2ccccc2C1)c1ccoc1
InChIInChI=1S/C16H17NO3/c18-15(14-6-8-20-10-14)17-11-16(19)7-5-12-3-1-2-4-13(12)9-16/h1-4,6,8,10,19H,5,7,9,11H2,(H,17,18)/t16-/m0/s1
InChIKeyGFRLMAISRDZYOD-INIZCTEOSA-N
MW271.32 g/mol
LogP1.93
Rot. Bonds3

About N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide

N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide (PubChem CID 97042651) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide
PubChem CID97042651
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide
SMILESO=C(NC[C@]1(O)CCc2ccccc2C1)c1ccoc1
InChIInChI=1S/C16H17NO3/c18-15(14-6-8-20-10-14)17-11-16(19)7-5-12-3-1-2-4-13(12)9-16/h1-4,6,8,10,19H,5,7,9,11H2,(H,17,18)/t16-/m0/s1
InChIKeyGFRLMAISRDZYOD-INIZCTEOSA-N
XLogP1.93
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide
CID 97042590
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-3,5-dimethoxybenzamide
CID 71803567
N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide
CID 103848998
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide
CID 97042608
N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide
CID 97042609
N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
CID 90581329
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 71803564
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 90581169
methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate
CID 90581032
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2,4,6-trimethylbenzamide
CID 90581082
N-[[1-(2-chloroethyl)cyclopropyl]methyl]furan-3-carboxamide
CID 114758169
5-chloro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]thiophene-2-carboxamide
CID 97042595

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide (CID 97042651) is N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide is O=C(NC[C@]1(O)CCc2ccccc2C1)c1ccoc1.
What is the InChIKey of N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide?
The InChIKey is GFRLMAISRDZYOD-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17NO3/c18-15(14-6-8-20-10-14)17-11-16(19)7-5-12-3-1-2-4-13(12)9-16/h1-4,6,8,10,19H,5,7,9,11H2,(H,17,18)/t16-/m0/s1.
What are the key properties of N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide?
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 97042651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).