N-[3-(methylamino)-3-oxopropyl]adamantane-2-carboxamide

C15H24N2O2 — CID 75416660

IUPACN-[3-(methylamino)-3-oxopropyl]adamantane-2-carboxamide
SMILESCNC(=O)CCNC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H24N2O2/c1-16-13(18)2-3-17-15(19)14-11-5-9-4-10(7-11)8-12(14)6-9/h9-12,14H,2-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyNAZDAKFHVXIAGG-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.31
Rot. Bonds4

About N-[3-(methylamino)-3-oxopropyl]adamantane-2-carboxamide

N-[3-(methylamino)-3-oxopropyl]adamantane-2-carboxamide (PubChem CID 75416660) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[3-(methylamino)-3-oxopropyl]adamantane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)-3-oxopropyl]adamantane-2-carboxamide
PubChem CID75416660
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[3-(methylamino)-3-oxopropyl]adamantane-2-carboxamide
SMILESCNC(=O)CCNC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H24N2O2/c1-16-13(18)2-3-17-15(19)14-11-5-9-4-10(7-11)8-12(14)6-9/h9-12,14H,2-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyNAZDAKFHVXIAGG-UHFFFAOYSA-N
XLogP1.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyladamantane-2-carboxamide
CID 78913673
N-(3-chloropropyl)adamantane-2-carboxamide
CID 81095692
3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide
CID 71938759
N-(5-chloro-4-methylpentyl)adamantane-2-carboxamide
CID 106156810
4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63782655
N-(3-methyl-2-oxobutyl)adamantane-2-carboxamide
CID 81095770
N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
CID 10680195
N-[5-(4-methylpiperazin-1-yl)pentyl]adamantane-2-carboxamide
CID 110445464
N-(2-morpholin-4-ylethyl)adamantane-2-carboxamide
CID 51250747
N-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide
CID 62359742
N-[3-(methylamino)-3-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119293827
(1S,6R)-6-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962335

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)-3-oxopropyl]adamantane-2-carboxamide?
The IUPAC name of N-[3-(methylamino)-3-oxopropyl]adamantane-2-carboxamide (CID 75416660) is N-[3-(methylamino)-3-oxopropyl]adamantane-2-carboxamide.
What is the SMILES notation for N-[3-(methylamino)-3-oxopropyl]adamantane-2-carboxamide?
The canonical SMILES for N-[3-(methylamino)-3-oxopropyl]adamantane-2-carboxamide is CNC(=O)CCNC(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[3-(methylamino)-3-oxopropyl]adamantane-2-carboxamide?
The InChIKey is NAZDAKFHVXIAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-16-13(18)2-3-17-15(19)14-11-5-9-4-10(7-11)8-12(14)6-9/h9-12,14H,2-8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[3-(methylamino)-3-oxopropyl]adamantane-2-carboxamide?
N-[3-(methylamino)-3-oxopropyl]adamantane-2-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)-3-oxopropyl]adamantane-2-carboxamide is sourced from PubChem (CID 75416660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).