propan-2-yl 3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate

C19H25NO2 — CID 156677951

IUPACpropan-2-yl 3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
SMILESCC(C)NC(Cc1ccc2ccccc2c1)C(=O)OC(C)C
InChIInChI=1S/C19H25NO2/c1-13(2)20-18(19(21)22-14(3)4)12-15-9-10-16-7-5-6-8-17(16)11-15/h5-11,13-14,18,20H,12H2,1-4H3
InChIKeyAKRZOYDNGDUESP-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.70
Rot. Bonds6

About propan-2-yl 3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate

propan-2-yl 3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate (PubChem CID 156677951) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is propan-2-yl 3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
PubChem CID156677951
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Namepropan-2-yl 3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
SMILESCC(C)NC(Cc1ccc2ccccc2c1)C(=O)OC(C)C
InChIInChI=1S/C19H25NO2/c1-13(2)20-18(19(21)22-14(3)4)12-15-9-10-16-7-5-6-8-17(16)11-15/h5-11,13-14,18,20H,12H2,1-4H3
InChIKeyAKRZOYDNGDUESP-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
CID 126517010
methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate
CID 154647583
(2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide
CID 71163130
propan-2-yl (2S)-2-(methylamino)-3-phenylpropanoate
CID 54240932
propan-2-yl 2-(chloroamino)-3-phenylpropanoate
CID 174436263
(2S)-4-methyl-2-(methyliodanuidylamino)-1-naphthalen-2-ylpentan-3-one
CID 163397797
(2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide
CID 91406698
butyl 2-methyl-3-naphthalen-2-ylpropanoate
CID 102047735
2-methyl-3-naphthalen-2-ylpropane-1,1-diol
CID 20647932
2-amino-N',N'-dimethyl-3-naphthalen-2-ylpropanehydrazide
CID 116849985
(2R)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoic acid
CID 175787823
methyl (2R)-2-isocyanato-3-naphthalen-2-ylpropanoate
CID 147583826

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate?
The IUPAC name of propan-2-yl 3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate (CID 156677951) is propan-2-yl 3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for propan-2-yl 3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate?
The canonical SMILES for propan-2-yl 3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate is CC(C)NC(Cc1ccc2ccccc2c1)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate?
The InChIKey is AKRZOYDNGDUESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-13(2)20-18(19(21)22-14(3)4)12-15-9-10-16-7-5-6-8-17(16)11-15/h5-11,13-14,18,20H,12H2,1-4H3.
What are the key properties of propan-2-yl 3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate?
propan-2-yl 3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate has a molecular weight of 299.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 156677951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).