(2R)-3,4-dimethyl-1-propyl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2H-pyrrol-5-one

C19H26N2O — CID 31021538

IUPAC(2R)-3,4-dimethyl-1-propyl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(C)=C(C)[C@@H]1N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C19H26N2O/c1-4-12-21-18(13(2)14(3)19(21)22)20-17-11-7-9-15-8-5-6-10-16(15)17/h5-6,8,10,17-18,20H,4,7,9,11-12H2,1-3H3/t17-,18-/m1/s1
InChIKeyQFLGGFHQRAPBEC-QZTJIDSGSA-N
MW298.43 g/mol
LogP3.57
Rot. Bonds4

About (2R)-3,4-dimethyl-1-propyl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2H-pyrrol-5-one

(2R)-3,4-dimethyl-1-propyl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2H-pyrrol-5-one (PubChem CID 31021538) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is (2R)-3,4-dimethyl-1-propyl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-3,4-dimethyl-1-propyl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2H-pyrrol-5-one
PubChem CID31021538
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name(2R)-3,4-dimethyl-1-propyl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(C)=C(C)[C@@H]1N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C19H26N2O/c1-4-12-21-18(13(2)14(3)19(21)22)20-17-11-7-9-15-8-5-6-10-16(15)17/h5-6,8,10,17-18,20H,4,7,9,11-12H2,1-3H3/t17-,18-/m1/s1
InChIKeyQFLGGFHQRAPBEC-QZTJIDSGSA-N
XLogP3.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)piperidin-2-one
CID 64654083
2-(oxolan-2-ylmethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 25246453
N-[(2-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62391908
N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanesulfonamide
CID 17388085
N-cyclopentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43095434
2,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrol-1-amine
CID 79100583
3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 131898012
N-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43094582
N-cyclohexyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43080330
2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanoic acid
CID 65054889
N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65295086
N-[(2-propylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114554855

Frequently Asked Questions

What is the IUPAC name of (2R)-3,4-dimethyl-1-propyl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2H-pyrrol-5-one?
The IUPAC name of (2R)-3,4-dimethyl-1-propyl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2H-pyrrol-5-one (CID 31021538) is (2R)-3,4-dimethyl-1-propyl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-3,4-dimethyl-1-propyl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2H-pyrrol-5-one?
The canonical SMILES for (2R)-3,4-dimethyl-1-propyl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2H-pyrrol-5-one is CCCN1C(=O)C(C)=C(C)[C@@H]1N[C@@H]1CCCc2ccccc21.
What is the InChIKey of (2R)-3,4-dimethyl-1-propyl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2H-pyrrol-5-one?
The InChIKey is QFLGGFHQRAPBEC-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H26N2O/c1-4-12-21-18(13(2)14(3)19(21)22)20-17-11-7-9-15-8-5-6-10-16(15)17/h5-6,8,10,17-18,20H,4,7,9,11-12H2,1-3H3/t17-,18-/m1/s1.
What are the key properties of (2R)-3,4-dimethyl-1-propyl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2H-pyrrol-5-one?
(2R)-3,4-dimethyl-1-propyl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2H-pyrrol-5-one has a molecular weight of 298.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,4-dimethyl-1-propyl-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2H-pyrrol-5-one is sourced from PubChem (CID 31021538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).