ethyl N-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]carbamate

C20H22N2O3 — CID 9210778

IUPACethyl N-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C20H22N2O3/c1-2-25-20(24)21-16-12-10-15(11-13-16)19(23)22-18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18H,2,5,7,9H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyBNWCKDOPOQLOSQ-SFHVURJKSA-N
MW338.41 g/mol
LogP4.06
Rot. Bonds4

About ethyl N-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]carbamate

ethyl N-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]carbamate (PubChem CID 9210778) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is ethyl N-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]carbamate
PubChem CID9210778
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Nameethyl N-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C20H22N2O3/c1-2-25-20(24)21-16-12-10-15(11-13-16)19(23)22-18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18H,2,5,7,9H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyBNWCKDOPOQLOSQ-SFHVURJKSA-N
XLogP4.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl N-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]carbamate with MolForge

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Related Compounds

4-acetamido-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7688434
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066
4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
CID 119263397
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4681400
4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098930
4-(sulfamoylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 95146458
4-[2-(4-ethoxyanilino)-2-oxoethoxy]-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4879241
4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450747
ethyl 4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butanoate
CID 7837641
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 9216707
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]naphthalene-2-carboxamide
CID 7688440

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]carbamate (CID 9210778) is ethyl N-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]carbamate is CCOC(=O)Nc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1.
What is the InChIKey of ethyl N-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]carbamate?
The InChIKey is BNWCKDOPOQLOSQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-2-25-20(24)21-16-12-10-15(11-13-16)19(23)22-18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-13,18H,2,5,7,9H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1.
What are the key properties of ethyl N-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]carbamate?
ethyl N-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]carbamate has a molecular weight of 338.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 9210778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).