3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide

C14H21N3O3 — CID 115597740

IUPAC3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide
SMILESCCN(CC)C(=O)CNC(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C14H21N3O3/c1-4-17(5-2)13(18)9-16-14(19)10-6-7-12(20-3)11(15)8-10/h6-8H,4-5,9,15H2,1-3H3,(H,16,19)
InChIKeyGBHOXPKXBWRNLZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.88
Rot. Bonds6

About 3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide

3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide (PubChem CID 115597740) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide
PubChem CID115597740
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide
SMILESCCN(CC)C(=O)CNC(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C14H21N3O3/c1-4-17(5-2)13(18)9-16-14(19)10-6-7-12(20-3)11(15)8-10/h6-8H,4-5,9,15H2,1-3H3,(H,16,19)
InChIKeyGBHOXPKXBWRNLZ-UHFFFAOYSA-N
XLogP0.88
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(diethylamino)-3-oxopropyl]-4-methoxybenzamide
CID 61102199
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 43310728
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 34837733
3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43567615
3-amino-4-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115597601
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3-amino-N-(2-ethoxyethyl)-N-ethyl-4-methoxybenzamide
CID 63697687
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 61115212
3-amino-N-(4-amino-4-oxobutyl)-4-methoxybenzamide
CID 60864435
4-(difluoromethoxy)-N-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methoxybenzamide
CID 55394910

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of 3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide (CID 115597740) is 3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide is CCN(CC)C(=O)CNC(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is GBHOXPKXBWRNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-17(5-2)13(18)9-16-14(19)10-6-7-12(20-3)11(15)8-10/h6-8H,4-5,9,15H2,1-3H3,(H,16,19).
What are the key properties of 3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide?
3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide has a molecular weight of 279.34 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(diethylamino)-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 115597740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).