N-[[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]methyl]-N,2-dimethylpropanamide

C20H29N3O2 — CID 119637144

IUPACN-[[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]methyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCC3CCC(C2)N3)cc1
InChIInChI=1S/C20H29N3O2/c1-14(2)19(24)22(3)12-15-4-6-16(7-5-15)20(25)23-11-10-17-8-9-18(13-23)21-17/h4-7,14,17-18,21H,8-13H2,1-3H3
InChIKeyORASEOKGGRVPGK-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.27
Rot. Bonds4

About N-[[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]methyl]-N,2-dimethylpropanamide

N-[[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]methyl]-N,2-dimethylpropanamide (PubChem CID 119637144) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]methyl]-N,2-dimethylpropanamide
PubChem CID119637144
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]methyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCC3CCC(C2)N3)cc1
InChIInChI=1S/C20H29N3O2/c1-14(2)19(24)22(3)12-15-4-6-16(7-5-15)20(25)23-11-10-17-8-9-18(13-23)21-17/h4-7,14,17-18,21H,8-13H2,1-3H3
InChIKeyORASEOKGGRVPGK-UHFFFAOYSA-N
XLogP2.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]methyl]-N,2-dimethylpropanamide with MolForge

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Related Compounds

N-[[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]methyl]-N,2-dimethylpropanamide
CID 119411289
N,2-dimethyl-N-[[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]propanamide;hydrochloride
CID 119540388
N-[[4-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]-N,2-dimethylpropanamide;hydrochloride
CID 119518835
N-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]-N,2-dimethylpropanamide;hydrochloride
CID 119594746
3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-fluorophenyl)methanone;hydrochloride
CID 86780037
N-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]acetamide
CID 119634838
3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-methylsulfonylphenyl)methanone
CID 81485611
(2S,3S)-2-methyl-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]piperidine-3-carboxylic acid
CID 122116003
N-(2-aminoethyl)-1-[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119480778
3,9-diazabicyclo[4.2.1]nonan-3-yl-[6-(dimethylamino)-3-pyridinyl]methanone
CID 119636994
N-[[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]methyl]-N,2-dimethylpropanamide
CID 120748888
3,9-diazabicyclo[4.2.1]nonan-3-yl-[4-[2-(diethylamino)ethoxy]phenyl]methanone
CID 119638759

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]methyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]methyl]-N,2-dimethylpropanamide (CID 119637144) is N-[[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]methyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]methyl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)Cc1ccc(C(=O)N2CCC3CCC(C2)N3)cc1.
What is the InChIKey of N-[[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]methyl]-N,2-dimethylpropanamide?
The InChIKey is ORASEOKGGRVPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14(2)19(24)22(3)12-15-4-6-16(7-5-15)20(25)23-11-10-17-8-9-18(13-23)21-17/h4-7,14,17-18,21H,8-13H2,1-3H3.
What are the key properties of N-[[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]methyl]-N,2-dimethylpropanamide?
N-[[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]methyl]-N,2-dimethylpropanamide has a molecular weight of 343.47 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]methyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 119637144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).