3-[[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-methylamino]methyl]benzamide

C19H26N2O2 — CID 97022014

IUPAC3-[[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-methylamino]methyl]benzamide
SMILESCC(C)=C[C@H]1[C@H](C(=O)N(C)Cc2cccc(C(N)=O)c2)C1(C)C
InChIInChI=1S/C19H26N2O2/c1-12(2)9-15-16(19(15,3)4)18(23)21(5)11-13-7-6-8-14(10-13)17(20)22/h6-10,15-16H,11H2,1-5H3,(H2,20,22)/t15-,16+/m0/s1
InChIKeyRHWYIVJBFBUZQB-JKSUJKDBSA-N
MW314.43 g/mol
LogP2.98
Rot. Bonds5

About 3-[[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-methylamino]methyl]benzamide

3-[[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-methylamino]methyl]benzamide (PubChem CID 97022014) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-methylamino]methyl]benzamide
PubChem CID97022014
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name3-[[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-methylamino]methyl]benzamide
SMILESCC(C)=C[C@H]1[C@H](C(=O)N(C)Cc2cccc(C(N)=O)c2)C1(C)C
InChIInChI=1S/C19H26N2O2/c1-12(2)9-15-16(19(15,3)4)18(23)21(5)11-13-7-6-8-14(10-13)17(20)22/h6-10,15-16H,11H2,1-5H3,(H2,20,22)/t15-,16+/m0/s1
InChIKeyRHWYIVJBFBUZQB-JKSUJKDBSA-N
XLogP2.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-methylamino]methyl]benzamide
CID 97022015
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
3-[[methyl-[(1R,2R)-2-propylcyclopropanecarbonyl]amino]methyl]benzamide
CID 96559788
3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide
CID 95614937
3-[[[3-(4-fluorophenyl)-2-methylprop-2-enoyl]-methylamino]methyl]benzamide
CID 71862224
3-[[bis(dimethylamino)methylideneamino]methyl]benzamide;hydroiodide
CID 75493968
3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
trans-(1R,3S)-N-[(3-chlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 35043494
N-[(3-carbamothioylphenyl)methyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 55141357
3-[(dipropylamino)methyl]benzamide
CID 82041313
3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
CID 134006466
N-[(3-carbamothioylphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 55141744

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-methylamino]methyl]benzamide?
The IUPAC name of 3-[[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-methylamino]methyl]benzamide (CID 97022014) is 3-[[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-methylamino]methyl]benzamide?
The canonical SMILES for 3-[[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-methylamino]methyl]benzamide is CC(C)=C[C@H]1[C@H](C(=O)N(C)Cc2cccc(C(N)=O)c2)C1(C)C.
What is the InChIKey of 3-[[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-methylamino]methyl]benzamide?
The InChIKey is RHWYIVJBFBUZQB-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-12(2)9-15-16(19(15,3)4)18(23)21(5)11-13-7-6-8-14(10-13)17(20)22/h6-10,15-16H,11H2,1-5H3,(H2,20,22)/t15-,16+/m0/s1.
What are the key properties of 3-[[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-methylamino]methyl]benzamide?
3-[[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-methylamino]methyl]benzamide has a molecular weight of 314.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]-methylamino]methyl]benzamide is sourced from PubChem (CID 97022014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).