N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]cyclobutanecarboxamide

C22H31N3O — CID 46081793

IUPACN-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]cyclobutanecarboxamide
SMILESCCCN(CCc1c[nH]c2ccc(NC(=O)C3CCC3)cc12)CC1CC1
InChIInChI=1S/C22H31N3O/c1-2-11-25(15-16-6-7-16)12-10-18-14-23-21-9-8-19(13-20(18)21)24-22(26)17-4-3-5-17/h8-9,13-14,16-17,23H,2-7,10-12,15H2,1H3,(H,24,26)
InChIKeyYIKKWWIHHCLROF-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.57
Rot. Bonds9

About N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]cyclobutanecarboxamide

N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]cyclobutanecarboxamide (PubChem CID 46081793) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]cyclobutanecarboxamide
PubChem CID46081793
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]cyclobutanecarboxamide
SMILESCCCN(CCc1c[nH]c2ccc(NC(=O)C3CCC3)cc12)CC1CC1
InChIInChI=1S/C22H31N3O/c1-2-11-25(15-16-6-7-16)12-10-18-14-23-21-9-8-19(13-20(18)21)24-22(26)17-4-3-5-17/h8-9,13-14,16-17,23H,2-7,10-12,15H2,1H3,(H,24,26)
InChIKeyYIKKWWIHHCLROF-UHFFFAOYSA-N
XLogP4.57
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]-3,5-bis(trifluoromethyl)benzamide
CID 46081785
N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]-2-(trifluoromethoxy)benzamide
CID 46081758
ethane;N-[4-[(3-ethyl-1H-indol-5-yl)oxy]-3,5-dimethylphenyl]cyclohexanecarboxamide
CID 142086448
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea
CID 19040763
N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 71926324
N-[3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-5-yl]-3-methylcyclohexane-1-carboxamide
CID 59715098
N-[3-[[[ethylamino-[2-(5-fluoro-1H-indol-3-yl)ethylamino]methylidene]amino]methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 111973469
N-(4-bromo-3-methylphenyl)-3-[cyclopropylmethyl(propyl)amino]propanamide
CID 2902696
N-[3-(cyanomethyl)-1H-indol-5-yl]acetamide
CID 12803112
N-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propan-1-amine
CID 156836218
N-ethyl-N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]propan-1-amine
CID 156836225
4-cyano-N-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-yl]benzamide
CID 92761200

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]cyclobutanecarboxamide (CID 46081793) is N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]cyclobutanecarboxamide is CCCN(CCc1c[nH]c2ccc(NC(=O)C3CCC3)cc12)CC1CC1.
What is the InChIKey of N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]cyclobutanecarboxamide?
The InChIKey is YIKKWWIHHCLROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-2-11-25(15-16-6-7-16)12-10-18-14-23-21-9-8-19(13-20(18)21)24-22(26)17-4-3-5-17/h8-9,13-14,16-17,23H,2-7,10-12,15H2,1H3,(H,24,26).
What are the key properties of N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]cyclobutanecarboxamide?
N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]cyclobutanecarboxamide has a molecular weight of 353.51 g/mol, XLogP of 4.57, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]cyclobutanecarboxamide is sourced from PubChem (CID 46081793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).