N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide

C23H29N3O2 — CID 90490734

IUPACN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(c2cn(C)c3ccccc23)N(C)C)cc1
InChIInChI=1S/C23H29N3O2/c1-25(2)22(20-16-26(3)21-8-6-5-7-19(20)21)15-24-23(27)14-11-17-9-12-18(28-4)13-10-17/h5-10,12-13,16,22H,11,14-15H2,1-4H3,(H,24,27)
InChIKeyUFSMSYPAMHOHOK-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.54
Rot. Bonds8

About N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide

N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 90490734) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID90490734
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(c2cn(C)c3ccccc23)N(C)C)cc1
InChIInChI=1S/C23H29N3O2/c1-25(2)22(20-16-26(3)21-8-6-5-7-19(20)21)15-24-23(27)14-11-17-9-12-18(28-4)13-10-17/h5-10,12-13,16,22H,11,14-15H2,1-4H3,(H,24,27)
InChIKeyUFSMSYPAMHOHOK-UHFFFAOYSA-N
XLogP3.54
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 90490740
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzenesulfonamide
CID 90490882
1-(3,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]urea
CID 90490859
N-[2-(dimethylamino)-3-phenylpropyl]-3-(4-methoxyphenyl)propanamide
CID 51186444
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 90490816
1-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-ethylurea
CID 95982226
N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 71780355
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 90490835
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 90490899
N-[2-(dimethylamino)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90491021
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide (CID 90490734) is N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCC(c2cn(C)c3ccccc23)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is UFSMSYPAMHOHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-25(2)22(20-16-26(3)21-8-6-5-7-19(20)21)15-24-23(27)14-11-17-9-12-18(28-4)13-10-17/h5-10,12-13,16,22H,11,14-15H2,1-4H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 379.50 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 90490734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).