3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide

C14H19N3O — CID 103617257

IUPAC3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide
SMILESCC(C)(CNCc1c[nH]c2ccccc12)C(N)=O
InChIInChI=1S/C14H19N3O/c1-14(2,13(15)18)9-16-7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8,16-17H,7,9H2,1-2H3,(H2,15,18)
InChIKeySAFFPGBTMXZBQQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.77
Rot. Bonds5

About 3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide

3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide (PubChem CID 103617257) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide
PubChem CID103617257
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide
SMILESCC(C)(CNCc1c[nH]c2ccccc12)C(N)=O
InChIInChI=1S/C14H19N3O/c1-14(2,13(15)18)9-16-7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8,16-17H,7,9H2,1-2H3,(H2,15,18)
InChIKeySAFFPGBTMXZBQQ-UHFFFAOYSA-N
XLogP1.77
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-hydroxyphenyl)methylamino]-2,2-dimethylpropanamide;hydrochloride
CID 115603008
4-(1H-indol-3-ylmethylamino)-3,3-dimethylbutan-1-ol
CID 106143200
2-(1H-indol-3-ylmethylamino)-N-methylacetamide
CID 60664269
(1H-indol-3-ylmethylamino)methanol
CID 115228988
3-(1H-indol-3-ylmethylamino)benzamide
CID 60680190
3-(1H-indol-3-ylmethylamino)-N-methylpropanamide
CID 55061964
methyl 2-(1H-indol-3-ylmethylamino)-2-methylpropanoate
CID 62332433
N-(1-amino-2-methylpropan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 55163528
ethyl 3-(1H-indol-3-ylmethylamino)-3-oxopropanoate
CID 115138557
2-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 115661182
5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide
CID 67517540
(5S)-5-amino-6-(1H-indol-3-yl)-2,2-dimethylhex-3-enamide
CID 67517548

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide?
The IUPAC name of 3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide (CID 103617257) is 3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide is CC(C)(CNCc1c[nH]c2ccccc12)C(N)=O.
What is the InChIKey of 3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide?
The InChIKey is SAFFPGBTMXZBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,13(15)18)9-16-7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8,16-17H,7,9H2,1-2H3,(H2,15,18).
What are the key properties of 3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide?
3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide has a molecular weight of 245.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide is sourced from PubChem (CID 103617257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).