[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium

C20H26N3O2+ — CID 8911226

IUPAC[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium
SMILESC[C@@H](NC(=O)C[NH+](C)CC(=O)NC1CC1)c1cccc2ccccc12
InChIInChI=1S/C20H25N3O2/c1-14(17-9-5-7-15-6-3-4-8-18(15)17)21-19(24)12-23(2)13-20(25)22-16-10-11-16/h3-9,14,16H,10-13H2,1-2H3,(H,21,24)(H,22,25)/p+1/t14-/m1/s1
InChIKeyRCXONOPTNHGNPK-CQSZACIVSA-O
MW340.45 g/mol
LogP0.81
Rot. Bonds7

About [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium

[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium (PubChem CID 8911226) has the molecular formula C20H26N3O2+ and a molecular weight of 340.45 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium
PubChem CID8911226
Molecular FormulaC20H26N3O2+
Molecular Weight340.45 g/mol
Exact Mass340.20
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium
SMILESC[C@@H](NC(=O)C[NH+](C)CC(=O)NC1CC1)c1cccc2ccccc12
InChIInChI=1S/C20H25N3O2/c1-14(17-9-5-7-15-6-3-4-8-18(15)17)21-19(24)12-23(2)13-20(25)22-16-10-11-16/h3-9,14,16H,10-13H2,1-2H3,(H,21,24)(H,22,25)/p+1/t14-/m1/s1
InChIKeyRCXONOPTNHGNPK-CQSZACIVSA-O
XLogP0.81
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium
CID 8815031
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
ethyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8792952
2-(cyclopropylmethylamino)-N-(1-naphthalen-1-ylethyl)acetamide;hydrochloride
CID 119687005
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]azanium
CID 8911428
1-cyclohexyl-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
CID 8724805
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8633084
2,2-dichloro-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 42907495
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]azanium
CID 8910937
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
CID 111442554

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium (CID 8911226) is [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium is C[C@@H](NC(=O)C[NH+](C)CC(=O)NC1CC1)c1cccc2ccccc12.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium?
The InChIKey is RCXONOPTNHGNPK-CQSZACIVSA-O. The full InChI is InChI=1S/C20H25N3O2/c1-14(17-9-5-7-15-6-3-4-8-18(15)17)21-19(24)12-23(2)13-20(25)22-16-10-11-16/h3-9,14,16H,10-13H2,1-2H3,(H,21,24)(H,22,25)/p+1/t14-/m1/s1.
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium?
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium has a molecular weight of 340.45 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8911226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).