(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide

C20H27N3O2 — CID 8767426

IUPAC(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
SMILESC[C@H](C(=O)Nc1ccc2ccccc2c1)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C20H27N3O2/c1-14(23(5)13-18(24)22-20(2,3)4)19(25)21-17-11-10-15-8-6-7-9-16(15)12-17/h6-12,14H,13H2,1-5H3,(H,21,25)(H,22,24)/t14-/m1/s1
InChIKeySUUBTTXCILYGPK-CQSZACIVSA-N
MW341.45 g/mol
LogP3.01
Rot. Bonds5

About (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide

(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide (PubChem CID 8767426) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
PubChem CID8767426
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
SMILESC[C@H](C(=O)Nc1ccc2ccccc2c1)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C20H27N3O2/c1-14(23(5)13-18(24)22-20(2,3)4)19(25)21-17-11-10-15-8-6-7-9-16(15)12-17/h6-12,14H,13H2,1-5H3,(H,21,25)(H,22,24)/t14-/m1/s1
InChIKeySUUBTTXCILYGPK-CQSZACIVSA-N
XLogP3.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
CID 2572986
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide
CID 46801974
(2S)-N-(1,3-benzodioxol-5-yl)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanamide
CID 8767208
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(3-cyanophenyl)propanamide
CID 8767213
4-[[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoyl]amino]benzamide
CID 8767331
2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide
CID 111496932
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
2-[(2-anilino-2-oxoethyl)-methylamino]-N-(4-methoxyphenyl)propanamide
CID 86979725
(2S)-2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
CID 25439831
N-tert-butyl-2-(naphthalen-2-ylamino)propanamide
CID 43401178
N-(4-tert-butylphenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 17438079
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 8768055

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide?
The IUPAC name of (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide (CID 8767426) is (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide?
The canonical SMILES for (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide is C[C@H](C(=O)Nc1ccc2ccccc2c1)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide?
The InChIKey is SUUBTTXCILYGPK-CQSZACIVSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(23(5)13-18(24)22-20(2,3)4)19(25)21-17-11-10-15-8-6-7-9-16(15)12-17/h6-12,14H,13H2,1-5H3,(H,21,25)(H,22,24)/t14-/m1/s1.
What are the key properties of (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide?
(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide has a molecular weight of 341.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 8767426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).