2-[[(S)-cyclopropyl(pyridin-3-yl)methyl]amino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide

C21H27N3O3 — CID 97352749

IUPAC2-[[(S)-cyclopropyl(pyridin-3-yl)methyl]amino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)CN[C@H](c2cccnc2)C2CC2)c1
InChIInChI=1S/C21H27N3O3/c1-14(18-11-17(26-2)8-9-19(18)27-3)24-20(25)13-23-21(15-6-7-15)16-5-4-10-22-12-16/h4-5,8-12,14-15,21,23H,6-7,13H2,1-3H3,(H,24,25)/t14-,21-/m0/s1
InChIKeyBUCSYRWXRDNNQU-QKKBWIMNSA-N
MW369.47 g/mol
LogP3.02
Rot. Bonds9

About 2-[[(S)-cyclopropyl(pyridin-3-yl)methyl]amino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide

2-[[(S)-cyclopropyl(pyridin-3-yl)methyl]amino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide (PubChem CID 97352749) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[[(S)-cyclopropyl(pyridin-3-yl)methyl]amino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[(S)-cyclopropyl(pyridin-3-yl)methyl]amino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
PubChem CID97352749
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-[[(S)-cyclopropyl(pyridin-3-yl)methyl]amino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)CN[C@H](c2cccnc2)C2CC2)c1
InChIInChI=1S/C21H27N3O3/c1-14(18-11-17(26-2)8-9-19(18)27-3)24-20(25)13-23-21(15-6-7-15)16-5-4-10-22-12-16/h4-5,8-12,14-15,21,23H,6-7,13H2,1-3H3,(H,24,25)/t14-,21-/m0/s1
InChIKeyBUCSYRWXRDNNQU-QKKBWIMNSA-N
XLogP3.02
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(S)-cyclopropyl(pyridin-3-yl)methyl]amino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide with MolForge

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Related Compounds

2-[[cyclopropyl(pyridin-3-yl)methyl]amino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 75455968
N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 85019951
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 43182272
2-anilino-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691812
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide
CID 110223613
2-cyclohexylsulfanyl-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 60608736
1-[(2,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
CID 3968223
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8558356
N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide
CID 110650393
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 46828934
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 9478267

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-cyclopropyl(pyridin-3-yl)methyl]amino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[[(S)-cyclopropyl(pyridin-3-yl)methyl]amino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide (CID 97352749) is 2-[[(S)-cyclopropyl(pyridin-3-yl)methyl]amino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[(S)-cyclopropyl(pyridin-3-yl)methyl]amino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[[(S)-cyclopropyl(pyridin-3-yl)methyl]amino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide is COc1ccc(OC)c([C@H](C)NC(=O)CN[C@H](c2cccnc2)C2CC2)c1.
What is the InChIKey of 2-[[(S)-cyclopropyl(pyridin-3-yl)methyl]amino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is BUCSYRWXRDNNQU-QKKBWIMNSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14(18-11-17(26-2)8-9-19(18)27-3)24-20(25)13-23-21(15-6-7-15)16-5-4-10-22-12-16/h4-5,8-12,14-15,21,23H,6-7,13H2,1-3H3,(H,24,25)/t14-,21-/m0/s1.
What are the key properties of 2-[[(S)-cyclopropyl(pyridin-3-yl)methyl]amino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide?
2-[[(S)-cyclopropyl(pyridin-3-yl)methyl]amino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-cyclopropyl(pyridin-3-yl)methyl]amino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 97352749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).