N-[(2S)-1,1-diethoxypropan-2-yl]-N-(naphthalen-1-ylmethyl)propanamide

C21H29NO3 — CID 68853294

IUPACN-[(2S)-1,1-diethoxypropan-2-yl]-N-(naphthalen-1-ylmethyl)propanamide
SMILESCCOC(OCC)[C@H](C)N(Cc1cccc2ccccc12)C(=O)CC
InChIInChI=1S/C21H29NO3/c1-5-20(23)22(16(4)21(24-6-2)25-7-3)15-18-13-10-12-17-11-8-9-14-19(17)18/h8-14,16,21H,5-7,15H2,1-4H3/t16-/m0/s1
InChIKeyYIOUWGVBZJEJDC-INIZCTEOSA-N
MW343.47 g/mol
LogP4.37
Rot. Bonds9

About N-[(2S)-1,1-diethoxypropan-2-yl]-N-(naphthalen-1-ylmethyl)propanamide

N-[(2S)-1,1-diethoxypropan-2-yl]-N-(naphthalen-1-ylmethyl)propanamide (PubChem CID 68853294) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[(2S)-1,1-diethoxypropan-2-yl]-N-(naphthalen-1-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[(2S)-1,1-diethoxypropan-2-yl]-N-(naphthalen-1-ylmethyl)propanamide
PubChem CID68853294
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC NameN-[(2S)-1,1-diethoxypropan-2-yl]-N-(naphthalen-1-ylmethyl)propanamide
SMILESCCOC(OCC)[C@H](C)N(Cc1cccc2ccccc12)C(=O)CC
InChIInChI=1S/C21H29NO3/c1-5-20(23)22(16(4)21(24-6-2)25-7-3)15-18-13-10-12-17-11-8-9-14-19(17)18/h8-14,16,21H,5-7,15H2,1-4H3/t16-/m0/s1
InChIKeyYIOUWGVBZJEJDC-INIZCTEOSA-N
XLogP4.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1,1-diethoxypropan-2-yl)-2-[[2-[(ethylcarbamoylamino)-methylamino]acetyl]amino]-3-methoxy-N-(naphthalen-1-ylmethyl)propanamide
CID 67075586
tert-butyl 3-amino-4-[[(2S)-1,1-diethoxypropan-2-yl]-(naphthalen-1-ylmethyl)amino]-2-oxobutanoate
CID 67075669
2-[[2-[[(4-chlorophenyl)methylcarbamoylamino]-methylamino]acetyl]amino]-N-(1,1-diethoxypropan-2-yl)-N-(naphthalen-1-ylmethyl)propanamide
CID 67088434
(2S)-N-[(2S)-1,1-diethoxypropan-2-yl]-2-[[2-[(ethylcarbamoylamino)-methylamino]acetyl]amino]-3-[(2-methylpropan-2-yl)oxy]-N-(naphthalen-1-ylmethyl)propanamide
CID 67088314
tert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate
CID 102492141
N-(1,1-diethoxypropan-2-yl)-2-[[2-[(ethylcarbamoylamino)-methylamino]acetyl]amino]-3-(furan-2-yl)-N-(naphthalen-1-ylmethyl)propanamide
CID 67075265
tert-butyl 4-[[(2S)-1,1-diethoxypropan-2-yl]-(naphthalen-1-ylmethyl)amino]-3-[[2-[methyl-(naphthalen-1-ylmethylcarbamoylamino)amino]acetyl]amino]-4-oxobutanoate
CID 67088247
tert-butyl (3S)-4-[[(2S)-1,1-diethoxypropan-2-yl]-(naphthalen-1-ylmethyl)amino]-3-[[2-[methyl-(naphthalen-1-ylmethylcarbamoylamino)amino]acetyl]amino]-4-oxobutanoate
CID 67088249
(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 94522375
[5-amino-2-[[(2S)-1,1-diethoxypropan-2-yl]-(naphthalen-1-ylmethyl)amino]-6-oxohexyl]carbamic acid
CID 87259609
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
2-[butan-2-yl-(2-naphthalen-1-ylacetyl)amino]acetic acid
CID 119955311

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1-diethoxypropan-2-yl]-N-(naphthalen-1-ylmethyl)propanamide?
The IUPAC name of N-[(2S)-1,1-diethoxypropan-2-yl]-N-(naphthalen-1-ylmethyl)propanamide (CID 68853294) is N-[(2S)-1,1-diethoxypropan-2-yl]-N-(naphthalen-1-ylmethyl)propanamide.
What is the SMILES notation for N-[(2S)-1,1-diethoxypropan-2-yl]-N-(naphthalen-1-ylmethyl)propanamide?
The canonical SMILES for N-[(2S)-1,1-diethoxypropan-2-yl]-N-(naphthalen-1-ylmethyl)propanamide is CCOC(OCC)[C@H](C)N(Cc1cccc2ccccc12)C(=O)CC.
What is the InChIKey of N-[(2S)-1,1-diethoxypropan-2-yl]-N-(naphthalen-1-ylmethyl)propanamide?
The InChIKey is YIOUWGVBZJEJDC-INIZCTEOSA-N. The full InChI is InChI=1S/C21H29NO3/c1-5-20(23)22(16(4)21(24-6-2)25-7-3)15-18-13-10-12-17-11-8-9-14-19(17)18/h8-14,16,21H,5-7,15H2,1-4H3/t16-/m0/s1.
What are the key properties of N-[(2S)-1,1-diethoxypropan-2-yl]-N-(naphthalen-1-ylmethyl)propanamide?
N-[(2S)-1,1-diethoxypropan-2-yl]-N-(naphthalen-1-ylmethyl)propanamide has a molecular weight of 343.47 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1,1-diethoxypropan-2-yl]-N-(naphthalen-1-ylmethyl)propanamide is sourced from PubChem (CID 68853294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).