2-methyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C21H25NO2 — CID 42627892

IUPAC2-methyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCC(C)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1OCc1ccccc1
InChIInChI=1S/C21H25NO2/c1-15(2)21(23)22-20-18-11-7-6-10-17(18)12-13-19(20)24-14-16-8-4-3-5-9-16/h3-11,15,19-20H,12-14H2,1-2H3,(H,22,23)/t19-,20+/m0/s1
InChIKeyVQYYBFWSPQEXPF-VQTJNVASSA-N
MW323.44 g/mol
LogP4.03
Rot. Bonds5

About 2-methyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

2-methyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 42627892) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-methyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID42627892
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name2-methyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCC(C)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1OCc1ccccc1
InChIInChI=1S/C21H25NO2/c1-15(2)21(23)22-20-18-11-7-6-10-17(18)12-13-19(20)24-14-16-8-4-3-5-9-16/h3-11,15,19-20H,12-14H2,1-2H3,(H,22,23)/t19-,20+/m0/s1
InChIKeyVQYYBFWSPQEXPF-VQTJNVASSA-N
XLogP4.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-[(1R,2R)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]but-2-enamide
CID 42627898
(2R)-2-amino-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120873780
propan-2-yl N-[(1R,2S)-2-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 92533265
2-amino-3-methoxy-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120993734
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 10293617
benzyl (2S)-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)-2-methylpropanoate
CID 157035661
2-[3-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-oxopropyl]benzoic acid
CID 120550949
2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 86955228
N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
CID 82710227
(2S,6S)-4-hydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,6-bis(phenylmethoxy)heptanediamide
CID 10794328
4-(2-fluoropropyl)-N-[(1R,2R)-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide
CID 167795420
trans-dimethyl (4S,5S)-4,5-bis(phenylmethoxy)cyclohexane-1,2-dicarboxylate
CID 11004179

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of 2-methyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 42627892) is 2-methyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is CC(C)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1OCc1ccccc1.
What is the InChIKey of 2-methyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is VQYYBFWSPQEXPF-VQTJNVASSA-N. The full InChI is InChI=1S/C21H25NO2/c1-15(2)21(23)22-20-18-11-7-6-10-17(18)12-13-19(20)24-14-16-8-4-3-5-9-16/h3-11,15,19-20H,12-14H2,1-2H3,(H,22,23)/t19-,20+/m0/s1.
What are the key properties of 2-methyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
2-methyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 323.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R,2S)-2-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 42627892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).