7-[3-(methylcarbamoylamino)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C19H21N3O3 — CID 123380177

IUPAC7-[3-(methylcarbamoylamino)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCNC(=O)Nc1cccc(Oc2ccc3c(c2)CC(C(N)=O)CC3)c1
InChIInChI=1S/C19H21N3O3/c1-21-19(24)22-15-3-2-4-16(11-15)25-17-8-7-12-5-6-13(18(20)23)9-14(12)10-17/h2-4,7-8,10-11,13H,5-6,9H2,1H3,(H2,20,23)(H2,21,22,24)
InChIKeyHHHLYOAQZZVMLL-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.82
Rot. Bonds4

About 7-[3-(methylcarbamoylamino)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

7-[3-(methylcarbamoylamino)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 123380177) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 7-[3-(methylcarbamoylamino)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name7-[3-(methylcarbamoylamino)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID123380177
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name7-[3-(methylcarbamoylamino)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCNC(=O)Nc1cccc(Oc2ccc3c(c2)CC(C(N)=O)CC3)c1
InChIInChI=1S/C19H21N3O3/c1-21-19(24)22-15-3-2-4-16(11-15)25-17-8-7-12-5-6-13(18(20)23)9-14(12)10-17/h2-4,7-8,10-11,13H,5-6,9H2,1H3,(H2,20,23)(H2,21,22,24)
InChIKeyHHHLYOAQZZVMLL-UHFFFAOYSA-N
XLogP2.82
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
methyl N-[4-[[7-(hydroxycarbamoyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]phenyl]carbamate
CID 123209447
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
N-(3-tert-butylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66721731
(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 10632089
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
N-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66721193
(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 58055283
methyl 4-[3-(carbamothioylamino)phenoxy]benzoate
CID 169359574
4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122084514
N-(3-naphthalen-2-yloxyphenyl)acetamide
CID 71156920
(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 56601558

Frequently Asked Questions

What is the IUPAC name of 7-[3-(methylcarbamoylamino)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 7-[3-(methylcarbamoylamino)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 123380177) is 7-[3-(methylcarbamoylamino)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 7-[3-(methylcarbamoylamino)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 7-[3-(methylcarbamoylamino)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CNC(=O)Nc1cccc(Oc2ccc3c(c2)CC(C(N)=O)CC3)c1.
What is the InChIKey of 7-[3-(methylcarbamoylamino)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is HHHLYOAQZZVMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-21-19(24)22-15-3-2-4-16(11-15)25-17-8-7-12-5-6-13(18(20)23)9-14(12)10-17/h2-4,7-8,10-11,13H,5-6,9H2,1H3,(H2,20,23)(H2,21,22,24).
What are the key properties of 7-[3-(methylcarbamoylamino)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
7-[3-(methylcarbamoylamino)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(methylcarbamoylamino)phenoxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 123380177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).