4-(aminomethyl)-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]oxane-4-carboxamide

C22H25N3O3 — CID 120929329

IUPAC4-(aminomethyl)-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)CCOCC1
InChIInChI=1S/C22H25N3O3/c23-15-22(9-12-28-13-10-22)21(27)24-18-6-3-5-17(14-18)20(26)25-11-8-16-4-1-2-7-19(16)25/h1-7,14H,8-13,15,23H2,(H,24,27)
InChIKeySFLWWDMKTBUQED-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.58
Rot. Bonds4

About 4-(aminomethyl)-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]oxane-4-carboxamide

4-(aminomethyl)-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]oxane-4-carboxamide (PubChem CID 120929329) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]oxane-4-carboxamide
PubChem CID120929329
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name4-(aminomethyl)-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)CCOCC1
InChIInChI=1S/C22H25N3O3/c23-15-22(9-12-28-13-10-22)21(27)24-18-6-3-5-17(14-18)20(26)25-11-8-16-4-1-2-7-19(16)25/h1-7,14H,8-13,15,23H2,(H,24,27)
InChIKeySFLWWDMKTBUQED-UHFFFAOYSA-N
XLogP2.58
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120790886
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119761237
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 60614335
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-(2-hydroxyethyl)urea
CID 60614369
4-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methoxybutanamide
CID 120590924
4-(aminomethyl)-N-(3-pyrrolidin-1-ylphenyl)oxane-4-carboxamide;dihydrochloride
CID 120939637
N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide
CID 8001369
4-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120919820
(2S)-2-amino-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-4-methylsulfanylbutanamide
CID 119310528
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]oxane-4-carboxamide (CID 120929329) is 4-(aminomethyl)-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]oxane-4-carboxamide is NCC1(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]oxane-4-carboxamide?
The InChIKey is SFLWWDMKTBUQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c23-15-22(9-12-28-13-10-22)21(27)24-18-6-3-5-17(14-18)20(26)25-11-8-16-4-1-2-7-19(16)25/h1-7,14H,8-13,15,23H2,(H,24,27).
What are the key properties of 4-(aminomethyl)-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]oxane-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 120929329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).