N-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dihydroindol-1-yl)propanamide

C22H29N3O — CID 109034896

IUPACN-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dihydroindol-1-yl)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN2CCc3ccccc32)c(C)c1
InChIInChI=1S/C22H29N3O/c1-4-24(5-2)19-10-11-20(17(3)16-19)23-22(26)13-15-25-14-12-18-8-6-7-9-21(18)25/h6-11,16H,4-5,12-15H2,1-3H3,(H,23,26)
InChIKeyKCAQQGIGFLPVED-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.23
Rot. Bonds7

About N-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dihydroindol-1-yl)propanamide

N-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dihydroindol-1-yl)propanamide (PubChem CID 109034896) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dihydroindol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dihydroindol-1-yl)propanamide
PubChem CID109034896
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dihydroindol-1-yl)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCN2CCc3ccccc32)c(C)c1
InChIInChI=1S/C22H29N3O/c1-4-24(5-2)19-10-11-20(17(3)16-19)23-22(26)13-15-25-14-12-18-8-6-7-9-21(18)25/h6-11,16H,4-5,12-15H2,1-3H3,(H,23,26)
InChIKeyKCAQQGIGFLPVED-UHFFFAOYSA-N
XLogP4.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 109042618
N-(5-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034835
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 44753800
N-(3-chloro-4-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034837
3-(2,3-dihydroindol-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109034854
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 109007270
3-(2,3-dihydroindol-1-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109034849
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
2-(2,3-dihydroindol-1-yl)-N-(2-methylphenyl)acetamide
CID 22199881
N-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034841
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dihydroindol-1-yl)propanamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dihydroindol-1-yl)propanamide (CID 109034896) is N-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dihydroindol-1-yl)propanamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dihydroindol-1-yl)propanamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dihydroindol-1-yl)propanamide is CCN(CC)c1ccc(NC(=O)CCN2CCc3ccccc32)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dihydroindol-1-yl)propanamide?
The InChIKey is KCAQQGIGFLPVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-4-24(5-2)19-10-11-20(17(3)16-19)23-22(26)13-15-25-14-12-18-8-6-7-9-21(18)25/h6-11,16H,4-5,12-15H2,1-3H3,(H,23,26).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dihydroindol-1-yl)propanamide?
N-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dihydroindol-1-yl)propanamide has a molecular weight of 351.49 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dihydroindol-1-yl)propanamide is sourced from PubChem (CID 109034896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).