3-(dimethylcarbamoylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide

C18H27N3O2 — CID 136539124

IUPAC3-(dimethylcarbamoylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
SMILESCN(C)C(=O)Nc1cccc(C(=O)NCC2C(C)(C)C2(C)C)c1
InChIInChI=1S/C18H27N3O2/c1-17(2)14(18(17,3)4)11-19-15(22)12-8-7-9-13(10-12)20-16(23)21(5)6/h7-10,14H,11H2,1-6H3,(H,19,22)(H,20,23)
InChIKeyRUWCDOSYOLCHHS-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.19
Rot. Bonds4

About 3-(dimethylcarbamoylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide

3-(dimethylcarbamoylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide (PubChem CID 136539124) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-(dimethylcarbamoylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylcarbamoylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
PubChem CID136539124
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-(dimethylcarbamoylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
SMILESCN(C)C(=O)Nc1cccc(C(=O)NCC2C(C)(C)C2(C)C)c1
InChIInChI=1S/C18H27N3O2/c1-17(2)14(18(17,3)4)11-19-15(22)12-8-7-9-13(10-12)20-16(23)21(5)6/h7-10,14H,11H2,1-6H3,(H,19,22)(H,20,23)
InChIKeyRUWCDOSYOLCHHS-UHFFFAOYSA-N
XLogP3.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzoic acid
CID 79356881
N-[3-(aminomethyl)pentan-3-yl]-3-(dimethylcarbamoylamino)benzamide;hydrochloride
CID 119571010
3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558110
3-(dimethylcarbamoylamino)-N,N-bis(prop-2-enyl)benzamide
CID 56794238
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(dimethylcarbamoylamino)benzamide
CID 119574828
3-(dimethylcarbamoylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119440210
N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54323644
3-acetamido-N-ethylbenzamide
CID 17230670
3-[bis(2-methoxyethyl)carbamoylamino]-N,N-dimethylbenzamide
CID 48744646
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride
CID 119660112
3-acetamido-N-(4-hydroxybutyl)benzamide
CID 106843063

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylcarbamoylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The IUPAC name of 3-(dimethylcarbamoylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide (CID 136539124) is 3-(dimethylcarbamoylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 3-(dimethylcarbamoylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The canonical SMILES for 3-(dimethylcarbamoylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide is CN(C)C(=O)Nc1cccc(C(=O)NCC2C(C)(C)C2(C)C)c1.
What is the InChIKey of 3-(dimethylcarbamoylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
The InChIKey is RUWCDOSYOLCHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-17(2)14(18(17,3)4)11-19-15(22)12-8-7-9-13(10-12)20-16(23)21(5)6/h7-10,14H,11H2,1-6H3,(H,19,22)(H,20,23).
What are the key properties of 3-(dimethylcarbamoylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide?
3-(dimethylcarbamoylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide has a molecular weight of 317.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylcarbamoylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 136539124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).