3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide

C13H17N3O — CID 110838398

IUPAC3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide
SMILESCC(CN)C(=O)Nc1ccc2c(ccn2C)c1
InChIInChI=1S/C13H17N3O/c1-9(8-14)13(17)15-11-3-4-12-10(7-11)5-6-16(12)2/h3-7,9H,8,14H2,1-2H3,(H,15,17)
InChIKeySFMODMKIWZEZOD-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.71
Rot. Bonds3

About 3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide

3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide (PubChem CID 110838398) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide
PubChem CID110838398
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide
SMILESCC(CN)C(=O)Nc1ccc2c(ccn2C)c1
InChIInChI=1S/C13H17N3O/c1-9(8-14)13(17)15-11-3-4-12-10(7-11)5-6-16(12)2/h3-7,9H,8,14H2,1-2H3,(H,15,17)
InChIKeySFMODMKIWZEZOD-UHFFFAOYSA-N
XLogP1.71
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide
CID 110837856
3-amino-3-methyl-N-(1-methylindol-5-yl)butanamide
CID 110838357
1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride
CID 45259292
1-[(1-methylindol-5-yl)amino]propan-2-ol
CID 82539777
N-(1-methylindol-5-yl)-2-(1-methylpyrrol-2-yl)acetamide
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N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide
CID 62668929
3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide
CID 62671199
4-tert-butyl-N-(1-methylindol-5-yl)benzamide
CID 70990201
2-[5-[(2-methyl-3-methylsulfanylpropanoyl)amino]indol-1-yl]acetic acid
CID 119235489
3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide
CID 62670686
methyl 2-[(1-methylindol-5-yl)amino]acetate
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4-[(3-amino-2-methylpropanoyl)amino]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide?
The IUPAC name of 3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide (CID 110838398) is 3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide?
The canonical SMILES for 3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide is CC(CN)C(=O)Nc1ccc2c(ccn2C)c1.
What is the InChIKey of 3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide?
The InChIKey is SFMODMKIWZEZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(8-14)13(17)15-11-3-4-12-10(7-11)5-6-16(12)2/h3-7,9H,8,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide?
3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide has a molecular weight of 231.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide is sourced from PubChem (CID 110838398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).