3-[2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]ethyl]benzamide

C20H23N3O2 — CID 95303687

IUPAC3-[2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]ethyl]benzamide
SMILESNC(=O)c1cccc(CCNC(=O)N[C@@H]2CCc3ccccc3C2)c1
InChIInChI=1S/C20H23N3O2/c21-19(24)17-7-3-4-14(12-17)10-11-22-20(25)23-18-9-8-15-5-1-2-6-16(15)13-18/h1-7,12,18H,8-11,13H2,(H2,21,24)(H2,22,23,25)/t18-/m1/s1
InChIKeyQXOHWIQAHWVPFH-GOSISDBHSA-N
MW337.42 g/mol
LogP2.18
Rot. Bonds5

About 3-[2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]ethyl]benzamide

3-[2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]ethyl]benzamide (PubChem CID 95303687) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-[2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]ethyl]benzamide
PubChem CID95303687
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-[2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]ethyl]benzamide
SMILESNC(=O)c1cccc(CCNC(=O)N[C@@H]2CCc3ccccc3C2)c1
InChIInChI=1S/C20H23N3O2/c21-19(24)17-7-3-4-14(12-17)10-11-22-20(25)23-18-9-8-15-5-1-2-6-16(15)13-18/h1-7,12,18H,8-11,13H2,(H2,21,24)(H2,22,23,25)/t18-/m1/s1
InChIKeyQXOHWIQAHWVPFH-GOSISDBHSA-N
XLogP2.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[[1-(2-methylprop-2-enyl)piperidin-4-yl]carbamoylamino]ethyl]benzamide
CID 56802993
N-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 122131725
3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62304579
2-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoylamino)butanoic acid
CID 107839632
3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62305417
1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 115573941
3-[2-(6-azaspiro[2.5]octan-2-ylcarbamoylamino)ethyl]benzamide
CID 138034860
(2S)-2-amino-3-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]propanoic acid
CID 166506978
3-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]benzoic acid
CID 103248031
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3-(triazol-1-ylmethyl)benzamide
CID 166243873
tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
CID 137389832
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 11775776

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]ethyl]benzamide?
The IUPAC name of 3-[2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]ethyl]benzamide (CID 95303687) is 3-[2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]ethyl]benzamide.
What is the SMILES notation for 3-[2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]ethyl]benzamide?
The canonical SMILES for 3-[2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]ethyl]benzamide is NC(=O)c1cccc(CCNC(=O)N[C@@H]2CCc3ccccc3C2)c1.
What is the InChIKey of 3-[2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]ethyl]benzamide?
The InChIKey is QXOHWIQAHWVPFH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-19(24)17-7-3-4-14(12-17)10-11-22-20(25)23-18-9-8-15-5-1-2-6-16(15)13-18/h1-7,12,18H,8-11,13H2,(H2,21,24)(H2,22,23,25)/t18-/m1/s1.
What are the key properties of 3-[2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]ethyl]benzamide?
3-[2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]ethyl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]ethyl]benzamide is sourced from PubChem (CID 95303687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).