N-butan-2-yl-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide

C22H26N2O — CID 3529601

IUPACN-butan-2-yl-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide
SMILESCCC(C)NC(=O)CC(c1cccc(C)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H26N2O/c1-4-16(3)24-22(25)13-19(17-9-7-8-15(2)12-17)20-14-23-21-11-6-5-10-18(20)21/h5-12,14,16,19,23H,4,13H2,1-3H3,(H,24,25)
InChIKeyVHTRJZOFWMVAFL-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.91
Rot. Bonds6

About N-butan-2-yl-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide

N-butan-2-yl-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide (PubChem CID 3529601) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is N-butan-2-yl-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide
PubChem CID3529601
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC NameN-butan-2-yl-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide
SMILESCCC(C)NC(=O)CC(c1cccc(C)c1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H26N2O/c1-4-16(3)24-22(25)13-19(17-9-7-8-15(2)12-17)20-14-23-21-11-6-5-10-18(20)21/h5-12,14,16,19,23H,4,13H2,1-3H3,(H,24,25)
InChIKeyVHTRJZOFWMVAFL-UHFFFAOYSA-N
XLogP4.91
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethoxy-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide
CID 3537942
3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(4-methylphenyl)propanamide
CID 3422452
3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 5226219
(3R)-N-[(2S)-butan-2-yl]-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide
CID 93114906
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
3-(1H-indol-3-yl)-3-(3-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 3613244
N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide
CID 46131344
N-[2-(1H-indol-3-yl)-2-(3-methylphenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110610468
(3S)-3-(1H-indol-3-yl)pentanoic acid
CID 7446864
3-(1H-indol-3-yl)pentanoic acid
CID 12616752
(2R)-2-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-N-(3-methylphenyl)propanamide
CID 8645306
(3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93299390

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-butan-2-yl-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide (CID 3529601) is N-butan-2-yl-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-butan-2-yl-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide is CCC(C)NC(=O)CC(c1cccc(C)c1)c1c[nH]c2ccccc12.
What is the InChIKey of N-butan-2-yl-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide?
The InChIKey is VHTRJZOFWMVAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-4-16(3)24-22(25)13-19(17-9-7-8-15(2)12-17)20-14-23-21-11-6-5-10-18(20)21/h5-12,14,16,19,23H,4,13H2,1-3H3,(H,24,25).
What are the key properties of N-butan-2-yl-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide?
N-butan-2-yl-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide has a molecular weight of 334.46 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(1H-indol-3-yl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 3529601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).