2-(methylamino)-N-[2-methyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,3,4-oxadiazol-2-yl]propyl]propanamide

C20H29N5O2 — CID 59415536

IUPAC2-(methylamino)-N-[2-methyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,3,4-oxadiazol-2-yl]propyl]propanamide
SMILESCNC(C)C(=O)NC(c1nnc(NC2CCCc3ccccc32)o1)C(C)C
InChIInChI=1S/C20H29N5O2/c1-12(2)17(23-18(26)13(3)21-4)19-24-25-20(27-19)22-16-11-7-9-14-8-5-6-10-15(14)16/h5-6,8,10,12-13,16-17,21H,7,9,11H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyVSSPEJLSZRDRSJ-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.98
Rot. Bonds7

About 2-(methylamino)-N-[2-methyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,3,4-oxadiazol-2-yl]propyl]propanamide

2-(methylamino)-N-[2-methyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,3,4-oxadiazol-2-yl]propyl]propanamide (PubChem CID 59415536) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-methyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,3,4-oxadiazol-2-yl]propyl]propanamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-methyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,3,4-oxadiazol-2-yl]propyl]propanamide
PubChem CID59415536
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name2-(methylamino)-N-[2-methyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,3,4-oxadiazol-2-yl]propyl]propanamide
SMILESCNC(C)C(=O)NC(c1nnc(NC2CCCc3ccccc32)o1)C(C)C
InChIInChI=1S/C20H29N5O2/c1-12(2)17(23-18(26)13(3)21-4)19-24-25-20(27-19)22-16-11-7-9-14-8-5-6-10-15(14)16/h5-6,8,10,12-13,16-17,21H,7,9,11H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyVSSPEJLSZRDRSJ-UHFFFAOYSA-N
XLogP2.98
TPSA92.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylaminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-oxadiazol-2-amine
CID 106960342
(4S)-3-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-4-carboxamide
CID 11502879
4-[[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]amino]-5-oxo-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid
CID 11698310
(2S)-2-[methyl-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]amino]-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 163484886
2-[[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11525099
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
N-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 54950260
N-[(2S)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]furan-2-carboxamide
CID 42987280
1-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 11627167
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 79196084
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 78988055
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9132035

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-methyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,3,4-oxadiazol-2-yl]propyl]propanamide?
The IUPAC name of 2-(methylamino)-N-[2-methyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,3,4-oxadiazol-2-yl]propyl]propanamide (CID 59415536) is 2-(methylamino)-N-[2-methyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,3,4-oxadiazol-2-yl]propyl]propanamide.
What is the SMILES notation for 2-(methylamino)-N-[2-methyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,3,4-oxadiazol-2-yl]propyl]propanamide?
The canonical SMILES for 2-(methylamino)-N-[2-methyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,3,4-oxadiazol-2-yl]propyl]propanamide is CNC(C)C(=O)NC(c1nnc(NC2CCCc3ccccc32)o1)C(C)C.
What is the InChIKey of 2-(methylamino)-N-[2-methyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,3,4-oxadiazol-2-yl]propyl]propanamide?
The InChIKey is VSSPEJLSZRDRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-12(2)17(23-18(26)13(3)21-4)19-24-25-20(27-19)22-16-11-7-9-14-8-5-6-10-15(14)16/h5-6,8,10,12-13,16-17,21H,7,9,11H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 2-(methylamino)-N-[2-methyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,3,4-oxadiazol-2-yl]propyl]propanamide?
2-(methylamino)-N-[2-methyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,3,4-oxadiazol-2-yl]propyl]propanamide has a molecular weight of 371.49 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-methyl-1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,3,4-oxadiazol-2-yl]propyl]propanamide is sourced from PubChem (CID 59415536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).