3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide

C16H25N3O2 — CID 61114252

IUPAC3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCCN(CC1CCOC1)C(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C16H25N3O2/c1-4-19(10-12-7-8-21-11-12)16(20)13-5-6-15(18(2)3)14(17)9-13/h5-6,9,12H,4,7-8,10-11,17H2,1-3H3
InChIKeyUDODRVPWRSUWQR-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.83
Rot. Bonds5

About 3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide

3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 61114252) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
PubChem CID61114252
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCCN(CC1CCOC1)C(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C16H25N3O2/c1-4-19(10-12-7-8-21-11-12)16(20)13-5-6-15(18(2)3)14(17)9-13/h5-6,9,12H,4,7-8,10-11,17H2,1-3H3
InChIKeyUDODRVPWRSUWQR-UHFFFAOYSA-N
XLogP1.83
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 61115387
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61433455
3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide
CID 103707104
2-(dimethylamino)-N-ethyl-5-nitro-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 94806475
4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 94805874
4-(dimethylamino)-N-ethyl-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 97239773
3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 112575684
N-ethyl-4-(methylamino)-3-nitro-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 94797422
3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 104852419
3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63954686
3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63955717
N-ethyl-4-oxo-N-(oxolan-3-ylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 53497874

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide (CID 61114252) is 3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide is CCN(CC1CCOC1)C(=O)c1ccc(N(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is UDODRVPWRSUWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-19(10-12-7-8-21-11-12)16(20)13-5-6-15(18(2)3)14(17)9-13/h5-6,9,12H,4,7-8,10-11,17H2,1-3H3.
What are the key properties of 3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide?
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 291.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 61114252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).