3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide

C19H27N3O3 — CID 119729065

IUPAC3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C19H27N3O3/c1-3-22(19(24)17-12-7-8-13(9-12)18(17)20)11-16(23)21-14-5-4-6-15(10-14)25-2/h4-6,10,12-13,17-18H,3,7-9,11,20H2,1-2H3,(H,21,23)
InChIKeyKTRKSJVRSNZSGV-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.86
Rot. Bonds6

About 3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119729065) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119729065
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C19H27N3O3/c1-3-22(19(24)17-12-7-8-13(9-12)18(17)20)11-16(23)21-14-5-4-6-15(10-14)25-2/h4-6,10,12-13,17-18H,3,7-9,11,20H2,1-2H3,(H,21,23)
InChIKeyKTRKSJVRSNZSGV-UHFFFAOYSA-N
XLogP1.86
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide
CID 30839706
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119292397
(2S)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119729072
1-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119729055
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-9H-xanthene-9-carboxamide
CID 40609025
4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 7958626
3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726667
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 43011201
2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783733
1-cyclopentyl-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 55359330
4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
CID 120559009

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119729065) is 3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1C2CCC(C2)C1N.
What is the InChIKey of 3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is KTRKSJVRSNZSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-22(19(24)17-12-7-8-13(9-12)18(17)20)11-16(23)21-14-5-4-6-15(10-14)25-2/h4-6,10,12-13,17-18H,3,7-9,11,20H2,1-2H3,(H,21,23).
What are the key properties of 3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119729065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).