N,N-dimethyl-2-[[2-(3-methylindol-1-yl)acetyl]amino]propanamide

C16H21N3O2 — CID 49488611

IUPACN,N-dimethyl-2-[[2-(3-methylindol-1-yl)acetyl]amino]propanamide
SMILESCc1cn(CC(=O)NC(C)C(=O)N(C)C)c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-11-9-19(14-8-6-5-7-13(11)14)10-15(20)17-12(2)16(21)18(3)4/h5-9,12H,10H2,1-4H3,(H,17,20)
InChIKeyAZSORBQWLCNXHT-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.54
Rot. Bonds4

About N,N-dimethyl-2-[[2-(3-methylindol-1-yl)acetyl]amino]propanamide

N,N-dimethyl-2-[[2-(3-methylindol-1-yl)acetyl]amino]propanamide (PubChem CID 49488611) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N,N-dimethyl-2-[[2-(3-methylindol-1-yl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[2-(3-methylindol-1-yl)acetyl]amino]propanamide
PubChem CID49488611
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN,N-dimethyl-2-[[2-(3-methylindol-1-yl)acetyl]amino]propanamide
SMILESCc1cn(CC(=O)NC(C)C(=O)N(C)C)c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-11-9-19(14-8-6-5-7-13(11)14)10-15(20)17-12(2)16(21)18(3)4/h5-9,12H,10H2,1-4H3,(H,17,20)
InChIKeyAZSORBQWLCNXHT-UHFFFAOYSA-N
XLogP1.54
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N,N-dimethyl-2-[[2-(3-methylindol-1-yl)acetyl]amino]propanamide
CID 94388505
N-methyl-2-(3-methyl-4-oxoquinolin-1-yl)acetamide
CID 156677240
2-(3-methylindol-1-yl)-N-[1-(2-methylpropyl)imidazol-2-yl]acetamide
CID 49495931
2-acetamido-3-(3-methylindol-1-yl)propanoic acid
CID 64581102
N-butan-2-yl-2-(3-formylindol-1-yl)acetamide
CID 4255967
N-methyl-2-(3-methylindol-1-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 94347341
2-(3-benzoylindol-1-yl)-N-propan-2-ylacetamide
CID 972360
3-(3-methylindol-1-yl)-2-phenylpropanoic acid
CID 63073735
N-[(2-hydroxycyclopentyl)methyl]-2-(3-methylindol-1-yl)acetamide
CID 111464102
(3-methylindol-1-yl)methanol
CID 54090827
2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 49371096
(2S)-3-methyl-1-(3-methylindol-1-yl)butan-2-amine
CID 59622325

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[2-(3-methylindol-1-yl)acetyl]amino]propanamide?
The IUPAC name of N,N-dimethyl-2-[[2-(3-methylindol-1-yl)acetyl]amino]propanamide (CID 49488611) is N,N-dimethyl-2-[[2-(3-methylindol-1-yl)acetyl]amino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[[2-(3-methylindol-1-yl)acetyl]amino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[[2-(3-methylindol-1-yl)acetyl]amino]propanamide is Cc1cn(CC(=O)NC(C)C(=O)N(C)C)c2ccccc12.
What is the InChIKey of N,N-dimethyl-2-[[2-(3-methylindol-1-yl)acetyl]amino]propanamide?
The InChIKey is AZSORBQWLCNXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-9-19(14-8-6-5-7-13(11)14)10-15(20)17-12(2)16(21)18(3)4/h5-9,12H,10H2,1-4H3,(H,17,20).
What are the key properties of N,N-dimethyl-2-[[2-(3-methylindol-1-yl)acetyl]amino]propanamide?
N,N-dimethyl-2-[[2-(3-methylindol-1-yl)acetyl]amino]propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[2-(3-methylindol-1-yl)acetyl]amino]propanamide is sourced from PubChem (CID 49488611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).