methyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate

C22H28N2O3 — CID 119325168

IUPACmethyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)C(CNC(=O)C1(N)CCCCC1)Cc1ccc2ccccc2c1
InChIInChI=1S/C22H28N2O3/c1-27-20(25)19(15-24-21(26)22(23)11-5-2-6-12-22)14-16-9-10-17-7-3-4-8-18(17)13-16/h3-4,7-10,13,19H,2,5-6,11-12,14-15,23H2,1H3,(H,24,26)
InChIKeyXSXLRPZELPRIIJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.95
Rot. Bonds6

About methyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate

methyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate (PubChem CID 119325168) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is methyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate
PubChem CID119325168
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Namemethyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)C(CNC(=O)C1(N)CCCCC1)Cc1ccc2ccccc2c1
InChIInChI=1S/C22H28N2O3/c1-27-20(25)19(15-24-21(26)22(23)11-5-2-6-12-22)14-16-9-10-17-7-3-4-8-18(17)13-16/h3-4,7-10,13,19H,2,5-6,11-12,14-15,23H2,1H3,(H,24,26)
InChIKeyXSXLRPZELPRIIJ-UHFFFAOYSA-N
XLogP2.95
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate with MolForge

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Related Compounds

methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate
CID 119325146
1-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119281081
methyl 2-(naphthalen-2-ylmethyl)-3-(piperidine-2-carbonylamino)propanoate;hydrochloride
CID 119325143
2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 120687757
methyl 2-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate;hydrochloride
CID 119786318
methyl (2S)-3-naphthalen-2-yl-2-(propan-2-ylamino)propanoate
CID 126517010
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide
CID 119274156
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119274155
1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119293242
methyl 2-(naphthalen-2-ylmethyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate
CID 86945925
methyl 2-[(1-aminocyclohexanecarbonyl)amino]-3-(3,4-dihydroxyphenyl)propanoate
CID 74316393
methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate
CID 154647583

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate?
The IUPAC name of methyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate (CID 119325168) is methyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate.
What is the SMILES notation for methyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate?
The canonical SMILES for methyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate is COC(=O)C(CNC(=O)C1(N)CCCCC1)Cc1ccc2ccccc2c1.
What is the InChIKey of methyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate?
The InChIKey is XSXLRPZELPRIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-27-20(25)19(15-24-21(26)22(23)11-5-2-6-12-22)14-16-9-10-17-7-3-4-8-18(17)13-16/h3-4,7-10,13,19H,2,5-6,11-12,14-15,23H2,1H3,(H,24,26).
What are the key properties of methyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate?
methyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate has a molecular weight of 368.48 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 119325168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).