N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide

C25H35N3O3 — CID 8620754

IUPACN-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H35N3O3/c1-16-5-4-6-17(2)23(16)27-21(29)15-28(3)22(30)7-8-26-24(31)25-12-18-9-19(13-25)11-20(10-18)14-25/h4-6,18-20H,7-15H2,1-3H3,(H,26,31)(H,27,29)
InChIKeyZMTWOOFXBFZPNN-UHFFFAOYSA-N
MW425.57 g/mol
LogP3.42
Rot. Bonds7

About N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide

N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide (PubChem CID 8620754) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
PubChem CID8620754
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC NameN-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H35N3O3/c1-16-5-4-6-17(2)23(16)27-21(29)15-28(3)22(30)7-8-26-24(31)25-12-18-9-19(13-25)11-20(10-18)14-25/h4-6,18-20H,7-15H2,1-3H3,(H,26,31)(H,27,29)
InChIKeyZMTWOOFXBFZPNN-UHFFFAOYSA-N
XLogP3.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 31370044
6-acetamido-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylhexanamide
CID 112791840
4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 119267877
N-[3-[(2-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 55860381
N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
CID 134017600
N-[4-[2-(2-methylphenyl)ethylamino]-4-oxobutyl]adamantane-1-carboxamide
CID 18190949
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide
CID 9437503
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylpropanamide
CID 30492683
2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772528
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)-N-methylpropanamide
CID 9114741
3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 8501081
cis-(1R,2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 2650123

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide (CID 8620754) is N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide?
The InChIKey is ZMTWOOFXBFZPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-16-5-4-6-17(2)23(16)27-21(29)15-28(3)22(30)7-8-26-24(31)25-12-18-9-19(13-25)11-20(10-18)14-25/h4-6,18-20H,7-15H2,1-3H3,(H,26,31)(H,27,29).
What are the key properties of N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide?
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide has a molecular weight of 425.57 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide is sourced from PubChem (CID 8620754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).