1-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indole-4-carboxamide

C22H24N2O — CID 154850554

IUPAC1-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indole-4-carboxamide
SMILESC[C@H](NC(=O)c1cccc2c1ccn2C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H24N2O/c1-15(17-11-10-16-6-3-4-7-18(16)14-17)23-22(25)20-8-5-9-21-19(20)12-13-24(21)2/h5,8-15H,3-4,6-7H2,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyVRQPXHNGMSBXPL-HNNXBMFYSA-N
MW332.45 g/mol
LogP4.55
Rot. Bonds3

About 1-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indole-4-carboxamide

1-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indole-4-carboxamide (PubChem CID 154850554) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indole-4-carboxamide
PubChem CID154850554
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name1-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indole-4-carboxamide
SMILESC[C@H](NC(=O)c1cccc2c1ccn2C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H24N2O/c1-15(17-11-10-16-6-3-4-7-18(16)14-17)23-22(25)20-8-5-9-21-19(20)12-13-24(21)2/h5,8-15H,3-4,6-7H2,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyVRQPXHNGMSBXPL-HNNXBMFYSA-N
XLogP4.55
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]indole-4-carboxamide
CID 56823797
2-methylsulfanyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 99644786
2-methylsulfonyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 24688126
2,4,5-trimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133191038
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylsulfanylbenzamide
CID 94487723
(2S)-2-pyrrol-1-yl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 97020916
3-fluoro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2941760
3-methoxy-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 2201463
1-methyl-6-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide
CID 31442892
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 51497914
(2R)-2-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 54995740
N'-(2-aminobenzoyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511270

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indole-4-carboxamide (CID 154850554) is 1-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indole-4-carboxamide is C[C@H](NC(=O)c1cccc2c1ccn2C)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indole-4-carboxamide?
The InChIKey is VRQPXHNGMSBXPL-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-15(17-11-10-16-6-3-4-7-18(16)14-17)23-22(25)20-8-5-9-21-19(20)12-13-24(21)2/h5,8-15H,3-4,6-7H2,1-2H3,(H,23,25)/t15-/m0/s1.
What are the key properties of 1-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indole-4-carboxamide?
1-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indole-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indole-4-carboxamide is sourced from PubChem (CID 154850554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).