(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-cyclopropylpropanamide

C20H32N2O — CID 9129614

IUPAC(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-cyclopropylpropanamide
SMILESCC(C)[C@@H](N[C@H](C)C(=O)NC1CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H32N2O/c1-13(2)18(21-14(3)19(23)22-17-11-12-17)15-7-9-16(10-8-15)20(4,5)6/h7-10,13-14,17-18,21H,11-12H2,1-6H3,(H,22,23)/t14-,18-/m1/s1
InChIKeyPXLVWYZPMFQHFS-RDTXWAMCSA-N
MW316.49 g/mol
LogP3.94
Rot. Bonds6

About (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-cyclopropylpropanamide

(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-cyclopropylpropanamide (PubChem CID 9129614) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-cyclopropylpropanamide
PubChem CID9129614
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-cyclopropylpropanamide
SMILESCC(C)[C@@H](N[C@H](C)C(=O)NC1CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H32N2O/c1-13(2)18(21-14(3)19(23)22-17-11-12-17)15-7-9-16(10-8-15)20(4,5)6/h7-10,13-14,17-18,21H,11-12H2,1-6H3,(H,22,23)/t14-,18-/m1/s1
InChIKeyPXLVWYZPMFQHFS-RDTXWAMCSA-N
XLogP3.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-cyclopropylpropanamide?
The IUPAC name of (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-cyclopropylpropanamide (CID 9129614) is (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-cyclopropylpropanamide.
What is the SMILES notation for (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-cyclopropylpropanamide?
The canonical SMILES for (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-cyclopropylpropanamide is CC(C)[C@@H](N[C@H](C)C(=O)NC1CC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-cyclopropylpropanamide?
The InChIKey is PXLVWYZPMFQHFS-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H32N2O/c1-13(2)18(21-14(3)19(23)22-17-11-12-17)15-7-9-16(10-8-15)20(4,5)6/h7-10,13-14,17-18,21H,11-12H2,1-6H3,(H,22,23)/t14-,18-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-cyclopropylpropanamide?
(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-cyclopropylpropanamide has a molecular weight of 316.49 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 9129614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).