(2S)-2-amino-N-[1-(6-methoxyindolizin-1-yl)propan-2-yl]-N-methylpropanamide

C16H23N3O2 — CID 176624510

IUPAC(2S)-2-amino-N-[1-(6-methoxyindolizin-1-yl)propan-2-yl]-N-methylpropanamide
SMILESCOc1ccc2c(CC(C)N(C)C(=O)[C@H](C)N)ccn2c1
InChIInChI=1S/C16H23N3O2/c1-11(18(3)16(20)12(2)17)9-13-7-8-19-10-14(21-4)5-6-15(13)19/h5-8,10-12H,9,17H2,1-4H3/t11?,12-/m0/s1
InChIKeyWOLZMEFIOJTXCL-KIYNQFGBSA-N
MW289.38 g/mol
LogP1.68
Rot. Bonds5

About (2S)-2-amino-N-[1-(6-methoxyindolizin-1-yl)propan-2-yl]-N-methylpropanamide

(2S)-2-amino-N-[1-(6-methoxyindolizin-1-yl)propan-2-yl]-N-methylpropanamide (PubChem CID 176624510) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(6-methoxyindolizin-1-yl)propan-2-yl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(6-methoxyindolizin-1-yl)propan-2-yl]-N-methylpropanamide
PubChem CID176624510
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2S)-2-amino-N-[1-(6-methoxyindolizin-1-yl)propan-2-yl]-N-methylpropanamide
SMILESCOc1ccc2c(CC(C)N(C)C(=O)[C@H](C)N)ccn2c1
InChIInChI=1S/C16H23N3O2/c1-11(18(3)16(20)12(2)17)9-13-7-8-19-10-14(21-4)5-6-15(13)19/h5-8,10-12H,9,17H2,1-4H3/t11?,12-/m0/s1
InChIKeyWOLZMEFIOJTXCL-KIYNQFGBSA-N
XLogP1.68
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(6-methoxyindolizin-1-yl)-2-oxoethyl]propanamide
CID 169203354
2-amino-1-(6-methoxyindolizin-1-yl)ethanone
CID 169203261
(2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide
CID 95291104
N-ethyl-1-(7-methoxyindolizin-1-yl)-N-methylpropan-2-amine
CID 169203165
N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 119584481
(2R)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
CID 119272237
(2R)-2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,3,3-trimethylbutanamide
CID 103930088
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,4-dimethylpentanamide
CID 65488585
2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54868494
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119266766
2-amino-1-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-3-methylbutan-1-one
CID 166467388
(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 61163391

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(6-methoxyindolizin-1-yl)propan-2-yl]-N-methylpropanamide?
The IUPAC name of (2S)-2-amino-N-[1-(6-methoxyindolizin-1-yl)propan-2-yl]-N-methylpropanamide (CID 176624510) is (2S)-2-amino-N-[1-(6-methoxyindolizin-1-yl)propan-2-yl]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(6-methoxyindolizin-1-yl)propan-2-yl]-N-methylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(6-methoxyindolizin-1-yl)propan-2-yl]-N-methylpropanamide is COc1ccc2c(CC(C)N(C)C(=O)[C@H](C)N)ccn2c1.
What is the InChIKey of (2S)-2-amino-N-[1-(6-methoxyindolizin-1-yl)propan-2-yl]-N-methylpropanamide?
The InChIKey is WOLZMEFIOJTXCL-KIYNQFGBSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(18(3)16(20)12(2)17)9-13-7-8-19-10-14(21-4)5-6-15(13)19/h5-8,10-12H,9,17H2,1-4H3/t11?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(6-methoxyindolizin-1-yl)propan-2-yl]-N-methylpropanamide?
(2S)-2-amino-N-[1-(6-methoxyindolizin-1-yl)propan-2-yl]-N-methylpropanamide has a molecular weight of 289.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(6-methoxyindolizin-1-yl)propan-2-yl]-N-methylpropanamide is sourced from PubChem (CID 176624510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).