[2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium

C21H29ClN3O2+ — CID 9307413

IUPAC[2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1
InChIInChI=1S/C21H28ClN3O2/c1-13(17-3-2-4-18(22)8-17)23-12-19(26)24-20(27)25-21-9-14-5-15(10-21)7-16(6-14)11-21/h2-4,8,13-16,23H,5-7,9-12H2,1H3,(H2,24,25,26,27)/p+1/t13-,14?,15?,16?,21?/m1/s1
InChIKeyKANHLLQACPCAAD-BUBBNXEVSA-O
MW390.94 g/mol
LogP2.76
Rot. Bonds5

About [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium

[2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium (PubChem CID 9307413) has the molecular formula C21H29ClN3O2+ and a molecular weight of 390.94 g/mol. Its IUPAC name is [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
PubChem CID9307413
Molecular FormulaC21H29ClN3O2+
Molecular Weight390.94 g/mol
Exact Mass390.19
IUPAC Name[2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1
InChIInChI=1S/C21H28ClN3O2/c1-13(17-3-2-4-18(22)8-17)23-12-19(26)24-20(27)25-21-9-14-5-15(10-21)7-16(6-14)11-21/h2-4,8,13-16,23H,5-7,9-12H2,1H3,(H2,24,25,26,27)/p+1/t13-,14?,15?,16?,21?/m1/s1
InChIKeyKANHLLQACPCAAD-BUBBNXEVSA-O
XLogP2.76
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1-adamantylamino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376217
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]azanium
CID 9307671
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9331163
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]azanium
CID 9307606
[2-(4-acetamidoanilino)-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 9331327
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium
CID 9331600
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-[(1S)-1-(3-chlorophenyl)ethyl]azanium
CID 8710396
[2-(1-adamantylamino)-2-oxoethyl]-benzhydrylazanium
CID 7971177
[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9307630
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(4-ethylanilino)-2-oxoethyl]azanium
CID 9330951
[(1S)-1-(3-chlorophenyl)ethyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8599402
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium
CID 9330926

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium?
The IUPAC name of [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium (CID 9307413) is [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium.
What is the SMILES notation for [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium?
The canonical SMILES for [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium is C[C@@H]([NH2+]CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1.
What is the InChIKey of [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium?
The InChIKey is KANHLLQACPCAAD-BUBBNXEVSA-O. The full InChI is InChI=1S/C21H28ClN3O2/c1-13(17-3-2-4-18(22)8-17)23-12-19(26)24-20(27)25-21-9-14-5-15(10-21)7-16(6-14)11-21/h2-4,8,13-16,23H,5-7,9-12H2,1H3,(H2,24,25,26,27)/p+1/t13-,14?,15?,16?,21?/m1/s1.
What are the key properties of [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium?
[2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium has a molecular weight of 390.94 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium is sourced from PubChem (CID 9307413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).