2-[[2-(dimethylamino)acetyl]amino]-N,N,3-trimethylcyclopenta-1,3-diene-1-carboxamide

C13H21N3O2 — CID 177002207

IUPAC2-[[2-(dimethylamino)acetyl]amino]-N,N,3-trimethylcyclopenta-1,3-diene-1-carboxamide
SMILESCC1=CCC(C(=O)N(C)C)=C1NC(=O)CN(C)C
InChIInChI=1S/C13H21N3O2/c1-9-6-7-10(13(18)16(4)5)12(9)14-11(17)8-15(2)3/h6H,7-8H2,1-5H3,(H,14,17)
InChIKeyWDKDMJGZPVITGR-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.36
Rot. Bonds4

About 2-[[2-(dimethylamino)acetyl]amino]-N,N,3-trimethylcyclopenta-1,3-diene-1-carboxamide

2-[[2-(dimethylamino)acetyl]amino]-N,N,3-trimethylcyclopenta-1,3-diene-1-carboxamide (PubChem CID 177002207) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)acetyl]amino]-N,N,3-trimethylcyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)acetyl]amino]-N,N,3-trimethylcyclopenta-1,3-diene-1-carboxamide
PubChem CID177002207
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[[2-(dimethylamino)acetyl]amino]-N,N,3-trimethylcyclopenta-1,3-diene-1-carboxamide
SMILESCC1=CCC(C(=O)N(C)C)=C1NC(=O)CN(C)C
InChIInChI=1S/C13H21N3O2/c1-9-6-7-10(13(18)16(4)5)12(9)14-11(17)8-15(2)3/h6H,7-8H2,1-5H3,(H,14,17)
InChIKeyWDKDMJGZPVITGR-UHFFFAOYSA-N
XLogP0.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 59268968
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CID 60105800
N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-1,2-dihydropyridin-3-yl]cyclopropanecarboxamide
CID 45496884
J38ZW5F4AN
CID 23531064
2-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 72047413
N-[2-(butylamino)-2-oxoethyl]-4-hydroxy-N,2,6-trimethylnicotinamide
CID 121498599
N,1-dibutyl-2,4-dimethyl-6-oxopyridine-3-carboxamide
CID 12920965
N-(tert-butyl)-2-[6-methyl-2-oxo-4-(trifluoromethyl)pyridin-1(2H)-yl]butanamide
CID 72878880
(2S)-N-tert-butyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide
CID 97196114
(2R)-N-tert-butyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide
CID 97196115
N-(1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-1,2-dihydropyridin-3-yl)acetamide
CID 45496881
N-(1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-1,2-dihydropyridin-3-yl)butyramide
CID 45496882

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)acetyl]amino]-N,N,3-trimethylcyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of 2-[[2-(dimethylamino)acetyl]amino]-N,N,3-trimethylcyclopenta-1,3-diene-1-carboxamide (CID 177002207) is 2-[[2-(dimethylamino)acetyl]amino]-N,N,3-trimethylcyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for 2-[[2-(dimethylamino)acetyl]amino]-N,N,3-trimethylcyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for 2-[[2-(dimethylamino)acetyl]amino]-N,N,3-trimethylcyclopenta-1,3-diene-1-carboxamide is CC1=CCC(C(=O)N(C)C)=C1NC(=O)CN(C)C.
What is the InChIKey of 2-[[2-(dimethylamino)acetyl]amino]-N,N,3-trimethylcyclopenta-1,3-diene-1-carboxamide?
The InChIKey is WDKDMJGZPVITGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-6-7-10(13(18)16(4)5)12(9)14-11(17)8-15(2)3/h6H,7-8H2,1-5H3,(H,14,17).
What are the key properties of 2-[[2-(dimethylamino)acetyl]amino]-N,N,3-trimethylcyclopenta-1,3-diene-1-carboxamide?
2-[[2-(dimethylamino)acetyl]amino]-N,N,3-trimethylcyclopenta-1,3-diene-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)acetyl]amino]-N,N,3-trimethylcyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 177002207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).