4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide

C16H23N3O — CID 119774506

IUPAC4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide
SMILESCNCCCC(=O)NCCc1c[nH]c2cccc(C)c12
InChIInChI=1S/C16H23N3O/c1-12-5-3-6-14-16(12)13(11-19-14)8-10-18-15(20)7-4-9-17-2/h3,5-6,11,17,19H,4,7-10H2,1-2H3,(H,18,20)
InChIKeyPCDPVOULBDCBDV-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.13
Rot. Bonds7

About 4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide

4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide (PubChem CID 119774506) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide
PubChem CID119774506
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide
SMILESCNCCCC(=O)NCCc1c[nH]c2cccc(C)c12
InChIInChI=1S/C16H23N3O/c1-12-5-3-6-14-16(12)13(11-19-14)8-10-18-15(20)7-4-9-17-2/h3,5-6,11,17,19H,4,7-10H2,1-2H3,(H,18,20)
InChIKeyPCDPVOULBDCBDV-UHFFFAOYSA-N
XLogP2.13
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774518
3-(2-aminophenyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 120610465
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 119318274
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 119774498
N-[2-(2,6-dimethylphenyl)ethyl]-4-(methylamino)butanamide
CID 119788029
2-(cyclopropylmethylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774526
1-hydroxy-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 110932725
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide
CID 119779419
4-(aminomethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]oxane-4-carboxamide
CID 120931113
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
CID 111435148
1-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-2-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111559026
N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide
CID 115155771

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide (CID 119774506) is 4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide is CNCCCC(=O)NCCc1c[nH]c2cccc(C)c12.
What is the InChIKey of 4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide?
The InChIKey is PCDPVOULBDCBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-5-3-6-14-16(12)13(11-19-14)8-10-18-15(20)7-4-9-17-2/h3,5-6,11,17,19H,4,7-10H2,1-2H3,(H,18,20).
What are the key properties of 4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide?
4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide has a molecular weight of 273.38 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide is sourced from PubChem (CID 119774506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).