4-amino-2-ethoxy-N-(morpholin-2-ylmethyl)benzamide

C14H21N3O3 — CID 10039260

IUPAC4-amino-2-ethoxy-N-(morpholin-2-ylmethyl)benzamide
SMILESCCOc1cc(N)ccc1C(=O)NCC1CNCCO1
InChIInChI=1S/C14H21N3O3/c1-2-19-13-7-10(15)3-4-12(13)14(18)17-9-11-8-16-5-6-20-11/h3-4,7,11,16H,2,5-6,8-9,15H2,1H3,(H,17,18)
InChIKeyFKGJGKAWROUGCH-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.39
Rot. Bonds5

About 4-amino-2-ethoxy-N-(morpholin-2-ylmethyl)benzamide

4-amino-2-ethoxy-N-(morpholin-2-ylmethyl)benzamide (PubChem CID 10039260) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-amino-2-ethoxy-N-(morpholin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-2-ethoxy-N-(morpholin-2-ylmethyl)benzamide
PubChem CID10039260
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-amino-2-ethoxy-N-(morpholin-2-ylmethyl)benzamide
SMILESCCOc1cc(N)ccc1C(=O)NCC1CNCCO1
InChIInChI=1S/C14H21N3O3/c1-2-19-13-7-10(15)3-4-12(13)14(18)17-9-11-8-16-5-6-20-11/h3-4,7,11,16H,2,5-6,8-9,15H2,1H3,(H,17,18)
InChIKeyFKGJGKAWROUGCH-UHFFFAOYSA-N
XLogP0.39
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Propoxycaine
CID 6843
Cisapride
CID 6917698
Otilonium Bromide
CID 72092
Mosapride
CID 119584
Ethopabate
CID 6034
Propoxycaine Hydrochloride
CID 11078
Cisapride (USP/INN)
CID 2769
Norcisapride
CID 3019427
Otilonium
CID 72093
Cisapride monohydrate
CID 6917697
Norcisapride, (+)-
CID 216236
4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
CID 5311047

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethoxy-N-(morpholin-2-ylmethyl)benzamide?
The IUPAC name of 4-amino-2-ethoxy-N-(morpholin-2-ylmethyl)benzamide (CID 10039260) is 4-amino-2-ethoxy-N-(morpholin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-2-ethoxy-N-(morpholin-2-ylmethyl)benzamide?
The canonical SMILES for 4-amino-2-ethoxy-N-(morpholin-2-ylmethyl)benzamide is CCOc1cc(N)ccc1C(=O)NCC1CNCCO1.
What is the InChIKey of 4-amino-2-ethoxy-N-(morpholin-2-ylmethyl)benzamide?
The InChIKey is FKGJGKAWROUGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-19-13-7-10(15)3-4-12(13)14(18)17-9-11-8-16-5-6-20-11/h3-4,7,11,16H,2,5-6,8-9,15H2,1H3,(H,17,18).
What are the key properties of 4-amino-2-ethoxy-N-(morpholin-2-ylmethyl)benzamide?
4-amino-2-ethoxy-N-(morpholin-2-ylmethyl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethoxy-N-(morpholin-2-ylmethyl)benzamide is sourced from PubChem (CID 10039260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).