(1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid

C20H21NO3 — CID 58025593

IUPAC(1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid
SMILESCCNC(=O)C1(c2ccccc2)CC[C@@H](C(=O)O)c2ccccc21
InChIInChI=1S/C20H21NO3/c1-2-21-19(24)20(14-8-4-3-5-9-14)13-12-16(18(22)23)15-10-6-7-11-17(15)20/h3-11,16H,2,12-13H2,1H3,(H,21,24)(H,22,23)/t16-,20?/m1/s1
InChIKeyICHKAEIMKKHIMK-QRIPLOBPSA-N
MW323.39 g/mol
LogP3.07
Rot. Bonds4

About (1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid

(1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid (PubChem CID 58025593) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid
PubChem CID58025593
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid
SMILESCCNC(=O)C1(c2ccccc2)CC[C@@H](C(=O)O)c2ccccc21
InChIInChI=1S/C20H21NO3/c1-2-21-19(24)20(14-8-4-3-5-9-14)13-12-16(18(22)23)15-10-6-7-11-17(15)20/h3-11,16H,2,12-13H2,1H3,(H,21,24)(H,22,23)/t16-,20?/m1/s1
InChIKeyICHKAEIMKKHIMK-QRIPLOBPSA-N
XLogP3.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-Naphthalen-2-ylacetyl)amino]-3-phenylpropanoic acid
CID 44601509
7-[(2-Mercaptomethyl-1,2,3,4-tetrahydro-naphthalene-2-carbonyl)-amino]-heptanoic acid
CID 19789943
4-[(1-Adamantylmethyl)amino]-3-(4-methylbenzyl)-4-oxobutanoic acid
CID 4920604
16-(1-Adamantylmethylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 15249830
(2S,4S)-5-Biphenyl-4-yl-4-(2-carboxy-ethylcarbamoyl)-2-p-tolyl-pentanoic acid
CID 44292398
16-(2-Adamantylmethylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 44347142
2-[(2-Naphthalen-2-ylacetyl)amino]octanoic acid
CID 44601510
1-Naphthaleneacetic acid, alpha-(3-(dimethylamino)propyl)-alpha-ethyl-, hydrochloride
CID 22868
4-(Diethylamino)-2-(naphthalen-1-yl)butanoic acid--hydrogen chloride (1/1)
CID 22886
1-Naphthaleneacetic acid, alpha-isopropyl-alpha-(3-piperidinopropyl)-, hydrochloride
CID 23022
1-Naphthaleneacetic acid, alpha-(4-(dimethylamino)butyl)-alpha-isopropyl-, hydrochloride
CID 23152
5-(Dimethylamino)-2-(naphthalen-1-yl)-2-(propan-2-yl)pentanoic acid--hydrogen chloride (1/1)
CID 23183

Frequently Asked Questions

What is the IUPAC name of (1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid?
The IUPAC name of (1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid (CID 58025593) is (1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid.
What is the SMILES notation for (1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid?
The canonical SMILES for (1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid is CCNC(=O)C1(c2ccccc2)CC[C@@H](C(=O)O)c2ccccc21.
What is the InChIKey of (1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid?
The InChIKey is ICHKAEIMKKHIMK-QRIPLOBPSA-N. The full InChI is InChI=1S/C20H21NO3/c1-2-21-19(24)20(14-8-4-3-5-9-14)13-12-16(18(22)23)15-10-6-7-11-17(15)20/h3-11,16H,2,12-13H2,1H3,(H,21,24)(H,22,23)/t16-,20?/m1/s1.
What are the key properties of (1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid?
(1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid has a molecular weight of 323.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-(ethylcarbamoyl)-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 58025593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).