N-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide

C21H24N2O2 — CID 9395259

IUPACN-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide
SMILESC[C@@H](NC(=O)CNC(=O)c1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H24N2O2/c1-15(18-12-11-16-7-5-6-10-19(16)13-18)23-20(24)14-22-21(25)17-8-3-2-4-9-17/h2-4,8-9,11-13,15H,5-7,10,14H2,1H3,(H,22,25)(H,23,24)/t15-/m1/s1
InChIKeyLCHFWWIEDMSCMC-OAHLLOKOSA-N
MW336.44 g/mol
LogP3.17
Rot. Bonds5

About N-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide

N-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide (PubChem CID 9395259) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide
PubChem CID9395259
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide
SMILESC[C@@H](NC(=O)CNC(=O)c1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H24N2O2/c1-15(18-12-11-16-7-5-6-10-19(16)13-18)23-20(24)14-22-21(25)17-8-3-2-4-9-17/h2-4,8-9,11-13,15H,5-7,10,14H2,1H3,(H,22,25)(H,23,24)/t15-/m1/s1
InChIKeyLCHFWWIEDMSCMC-OAHLLOKOSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl]-4-propan-2-yloxybenzamide
CID 24549297
3-nitro-N-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide
CID 9395601
4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 108795927
2-[(2-phenoxyacetyl)amino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9395582
2-phenacylsulfanyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 95685565
N-[2-oxo-2-[[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide
CID 9396624
N-[2-oxo-2-[[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]ethyl]furan-2-carboxamide
CID 9396618
N-[2-[1-(3-bromophenyl)ethylamino]-2-oxoethyl]benzamide
CID 42884462
[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 8943675
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9300971
4-chloro-N-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]pyridine-2-carboxamide
CID 9396568
2-(4-benzoylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 84913276

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide (CID 9395259) is N-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide is C[C@@H](NC(=O)CNC(=O)c1ccccc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide?
The InChIKey is LCHFWWIEDMSCMC-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(18-12-11-16-7-5-6-10-19(16)13-18)23-20(24)14-22-21(25)17-8-3-2-4-9-17/h2-4,8-9,11-13,15H,5-7,10,14H2,1H3,(H,22,25)(H,23,24)/t15-/m1/s1.
What are the key properties of N-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide?
N-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide has a molecular weight of 336.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide is sourced from PubChem (CID 9395259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).