N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]adamantane-1-carboxamide

C23H33N3O2 — CID 18110928

IUPACN-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCN(CCCNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C23H33N3O2/c1-26(20-6-3-2-4-7-20)9-5-8-24-21(27)16-25-22(28)23-13-17-10-18(14-23)12-19(11-17)15-23/h2-4,6-7,17-19H,5,8-16H2,1H3,(H,24,27)(H,25,28)
InChIKeyNZJZGESJCVVKMC-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.96
Rot. Bonds8

About N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 18110928) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID18110928
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCN(CCCNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1
InChIInChI=1S/C23H33N3O2/c1-26(20-6-3-2-4-7-20)9-5-8-24-21(27)16-25-22(28)23-13-17-10-18(14-23)12-19(11-17)15-23/h2-4,6-7,17-19H,5,8-16H2,1H3,(H,24,27)(H,25,28)
InChIKeyNZJZGESJCVVKMC-UHFFFAOYSA-N
XLogP2.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[3-(N-methylanilino)propylamino]-2-oxoethyl] adamantane-1-carboxylate
CID 9017860
N-butyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693948
N-[(2S)-3-methyl-1-[2-(N-methylanilino)ethylamino]-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 30664132
(1R,3S,5R,7R)-3-ethyl-5-hydroxy-N-[3-(N-methylanilino)propyl]adamantane-1-carboxamide
CID 98305706
2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide
CID 25472463
3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide
CID 64685522
N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693730
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
N-(2-cyanoethyl)-2-[3-(N-methylanilino)propylamino]acetamide
CID 28573424
N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 55724914
1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119831631
phenyl 4-(adamantane-1-carbonylamino)butanoate
CID 18281096

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]adamantane-1-carboxamide (CID 18110928) is N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]adamantane-1-carboxamide is CN(CCCNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1.
What is the InChIKey of N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is NZJZGESJCVVKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-26(20-6-3-2-4-7-20)9-5-8-24-21(27)16-25-22(28)23-13-17-10-18(14-23)12-19(11-17)15-23/h2-4,6-7,17-19H,5,8-16H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 18110928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).