2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide

C20H27N3O2 — CID 9050148

IUPAC2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C20H27N3O2/c1-14(2)21-19(24)12-23(4)13-20(25)22-15(3)17-10-9-16-7-5-6-8-18(16)11-17/h5-11,14-15H,12-13H2,1-4H3,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKeyBNMTWFMQUPUUTN-HNNXBMFYSA-N
MW341.46 g/mol
LogP2.47
Rot. Bonds7

About 2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide

2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide (PubChem CID 9050148) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
PubChem CID9050148
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C20H27N3O2/c1-14(2)21-19(24)12-23(4)13-20(25)22-15(3)17-10-9-16-7-5-6-8-18(16)11-17/h5-11,14-15H,12-13H2,1-4H3,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKeyBNMTWFMQUPUUTN-HNNXBMFYSA-N
XLogP2.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-[ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8906831
2-[2-hydroxyethyl(methyl)amino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 110880775
2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 51224203
2-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 47007435
2-[(3,4-difluorophenyl)methyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 55558193
ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8906830
2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8913312
3-methyl-N-(1-naphthalen-2-ylethyl)but-3-enamide
CID 145167026
2-methoxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 43011314
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 9113157
N-[(1S)-1-naphthalen-2-ylethyl]-2-phenoxyacetamide
CID 7899710
2-(4-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 974464

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide (CID 9050148) is 2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1.
What is the InChIKey of 2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?
The InChIKey is BNMTWFMQUPUUTN-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(2)21-19(24)12-23(4)13-20(25)22-15(3)17-10-9-16-7-5-6-8-18(16)11-17/h5-11,14-15H,12-13H2,1-4H3,(H,21,24)(H,22,25)/t15-/m0/s1.
What are the key properties of 2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?
2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide has a molecular weight of 341.46 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 9050148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).