3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide

C16H25N3O2 — CID 61433455

IUPAC3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCO1)C(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C16H25N3O2/c1-4-19(11-13-6-5-9-21-13)16(20)12-7-8-15(18(2)3)14(17)10-12/h7-8,10,13H,4-6,9,11,17H2,1-3H3
InChIKeyMXQRFGFMPFLSHT-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.98
Rot. Bonds5

About 3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide

3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 61433455) 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-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID61433455
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCO1)C(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C16H25N3O2/c1-4-19(11-13-6-5-9-21-13)16(20)12-7-8-15(18(2)3)14(17)10-12/h7-8,10,13H,4-6,9,11,17H2,1-3H3
InChIKeyMXQRFGFMPFLSHT-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
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-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 61114252
2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55041803
6-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62161209
N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 79600203
2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid
CID 119182463
6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95402245
3-(3-aminoprop-1-ynyl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61438969
N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 146087509
ethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate
CID 94489762
4-chloro-N-[2-(dimethylamino)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95282674
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(oxolan-2-ylmethyl)butanamide
CID 24712248

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide (CID 61433455) is 3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide is CCN(CC1CCCO1)C(=O)c1ccc(N(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is MXQRFGFMPFLSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-19(11-13-6-5-9-21-13)16(20)12-7-8-15(18(2)3)14(17)10-12/h7-8,10,13H,4-6,9,11,17H2,1-3H3.
What are the key properties of 3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide?
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 291.39 g/mol, XLogP of 1.98, 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-2-ylmethyl)benzamide is sourced from PubChem (CID 61433455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).