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

C22H21NO2 — CID 97042609

IUPACN-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(NC[C@@]1(O)CCc2ccccc2C1)c1cccc2ccccc12
InChIInChI=1S/C22H21NO2/c24-21(20-11-5-9-17-7-3-4-10-19(17)20)23-15-22(25)13-12-16-6-1-2-8-18(16)14-22/h1-11,25H,12-15H2,(H,23,24)/t22-/m1/s1
InChIKeyMYVMEPWHUMRKGG-JOCHJYFZSA-N
MW331.42 g/mol
LogP3.49
Rot. Bonds3

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

N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide (PubChem CID 97042609) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide
PubChem CID97042609
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(NC[C@@]1(O)CCc2ccccc2C1)c1cccc2ccccc12
InChIInChI=1S/C22H21NO2/c24-21(20-11-5-9-17-7-3-4-10-19(17)20)23-15-22(25)13-12-16-6-1-2-8-18(16)14-22/h1-11,25H,12-15H2,(H,23,24)/t22-/m1/s1
InChIKeyMYVMEPWHUMRKGG-JOCHJYFZSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide
CID 97042608
N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]naphthalene-1-carboxamide
CID 95983093
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2-methoxybenzamide
CID 90581070
N-[[1-(chloromethyl)cyclopropyl]methyl]naphthalene-1-carboxamide
CID 115456005
N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
CID 90581329
methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate
CID 90581032
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide
CID 97042651
N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]-2,4,6-trimethylbenzamide
CID 90581082
5-chloro-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]thiophene-2-carboxamide
CID 97042595
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-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 97042707

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide (CID 97042609) is N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide is O=C(NC[C@@]1(O)CCc2ccccc2C1)c1cccc2ccccc12.
What is the InChIKey of N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is MYVMEPWHUMRKGG-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H21NO2/c24-21(20-11-5-9-17-7-3-4-10-19(17)20)23-15-22(25)13-12-16-6-1-2-8-18(16)14-22/h1-11,25H,12-15H2,(H,23,24)/t22-/m1/s1.
What are the key properties of N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide?
N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 97042609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).