3-[[4-[1-[2-(dimethylamino)ethyl]cyclopropyl]benzoyl]amino]oxane-2-carboxamide

C20H29N3O3 — CID 173179695

IUPAC3-[[4-[1-[2-(dimethylamino)ethyl]cyclopropyl]benzoyl]amino]oxane-2-carboxamide
SMILESCN(C)CCC1(c2ccc(C(=O)NC3CCCOC3C(N)=O)cc2)CC1
InChIInChI=1S/C20H29N3O3/c1-23(2)12-11-20(9-10-20)15-7-5-14(6-8-15)19(25)22-16-4-3-13-26-17(16)18(21)24/h5-8,16-17H,3-4,9-13H2,1-2H3,(H2,21,24)(H,22,25)
InChIKeyNQEOTZVLCNIOMF-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.43
Rot. Bonds7

About 3-[[4-[1-[2-(dimethylamino)ethyl]cyclopropyl]benzoyl]amino]oxane-2-carboxamide

3-[[4-[1-[2-(dimethylamino)ethyl]cyclopropyl]benzoyl]amino]oxane-2-carboxamide (PubChem CID 173179695) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-[[4-[1-[2-(dimethylamino)ethyl]cyclopropyl]benzoyl]amino]oxane-2-carboxamide.

Molecular Properties

Compound Name3-[[4-[1-[2-(dimethylamino)ethyl]cyclopropyl]benzoyl]amino]oxane-2-carboxamide
PubChem CID173179695
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name3-[[4-[1-[2-(dimethylamino)ethyl]cyclopropyl]benzoyl]amino]oxane-2-carboxamide
SMILESCN(C)CCC1(c2ccc(C(=O)NC3CCCOC3C(N)=O)cc2)CC1
InChIInChI=1S/C20H29N3O3/c1-23(2)12-11-20(9-10-20)15-7-5-14(6-8-15)19(25)22-16-4-3-13-26-17(16)18(21)24/h5-8,16-17H,3-4,9-13H2,1-2H3,(H2,21,24)(H,22,25)
InChIKeyNQEOTZVLCNIOMF-UHFFFAOYSA-N
XLogP1.43
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide
CID 173179790
5-chloro-N-[2-[[4-[1-[2-(dimethylamino)ethyl]cyclopropyl]benzoyl]amino]-4-(dimethylcarbamoyl)cyclopentyl]thiophene-2-carboxamide
CID 91140762
1-(2-methoxyacetyl)-3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]piperidine-2-carboxamide
CID 173179794
4-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide
CID 173179783
N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide
CID 106367084
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-fluorobenzamide
CID 110279233
N-(2-aminocyclohexyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
CID 69440556
4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104957519
4-acetyl-N-[2-(dimethylamino)cyclohexyl]benzamide
CID 23349769
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
N-(2-amino-2-oxoethyl)-4-[1-[(dimethylamino)methyl]cyclopropyl]benzamide
CID 69490721
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide
CID 110279273

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[1-[2-(dimethylamino)ethyl]cyclopropyl]benzoyl]amino]oxane-2-carboxamide?
The IUPAC name of 3-[[4-[1-[2-(dimethylamino)ethyl]cyclopropyl]benzoyl]amino]oxane-2-carboxamide (CID 173179695) is 3-[[4-[1-[2-(dimethylamino)ethyl]cyclopropyl]benzoyl]amino]oxane-2-carboxamide.
What is the SMILES notation for 3-[[4-[1-[2-(dimethylamino)ethyl]cyclopropyl]benzoyl]amino]oxane-2-carboxamide?
The canonical SMILES for 3-[[4-[1-[2-(dimethylamino)ethyl]cyclopropyl]benzoyl]amino]oxane-2-carboxamide is CN(C)CCC1(c2ccc(C(=O)NC3CCCOC3C(N)=O)cc2)CC1.
What is the InChIKey of 3-[[4-[1-[2-(dimethylamino)ethyl]cyclopropyl]benzoyl]amino]oxane-2-carboxamide?
The InChIKey is NQEOTZVLCNIOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-23(2)12-11-20(9-10-20)15-7-5-14(6-8-15)19(25)22-16-4-3-13-26-17(16)18(21)24/h5-8,16-17H,3-4,9-13H2,1-2H3,(H2,21,24)(H,22,25).
What are the key properties of 3-[[4-[1-[2-(dimethylamino)ethyl]cyclopropyl]benzoyl]amino]oxane-2-carboxamide?
3-[[4-[1-[2-(dimethylamino)ethyl]cyclopropyl]benzoyl]amino]oxane-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[1-[2-(dimethylamino)ethyl]cyclopropyl]benzoyl]amino]oxane-2-carboxamide is sourced from PubChem (CID 173179695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).