(2S)-N-[(4-aminocyclohexyl)methyl]-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)pyrrolidine-2-carboxamide

C23H33N3O2 — CID 10572047

IUPAC(2S)-N-[(4-aminocyclohexyl)methyl]-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESNC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C2CCc3ccccc3C2)CC1
InChIInChI=1S/C23H33N3O2/c24-20-11-7-16(8-12-20)15-25-22(27)21-6-3-13-26(21)23(28)19-10-9-17-4-1-2-5-18(17)14-19/h1-2,4-5,16,19-21H,3,6-15,24H2,(H,25,27)/t16?,19?,20?,21-/m0/s1
InChIKeyRBNXPGSRKWKQRH-QHZLYBBVSA-N
MW383.54 g/mol
LogP2.42
Rot. Bonds4

About (2S)-N-[(4-aminocyclohexyl)methyl]-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-[(4-aminocyclohexyl)methyl]-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 10572047) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is (2S)-N-[(4-aminocyclohexyl)methyl]-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-aminocyclohexyl)methyl]-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID10572047
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name(2S)-N-[(4-aminocyclohexyl)methyl]-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESNC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C2CCc3ccccc3C2)CC1
InChIInChI=1S/C23H33N3O2/c24-20-11-7-16(8-12-20)15-25-22(27)21-6-3-13-26(21)23(28)19-10-9-17-4-1-2-5-18(17)14-19/h1-2,4-5,16,19-21H,3,6-15,24H2,(H,25,27)/t16?,19?,20?,21-/m0/s1
InChIKeyRBNXPGSRKWKQRH-QHZLYBBVSA-N
XLogP2.42
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-aminocyclohexyl)methyl]-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(4-aminocyclohexyl)methyl]-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)pyrrolidine-2-carboxamide (CID 10572047) is (2S)-N-[(4-aminocyclohexyl)methyl]-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-aminocyclohexyl)methyl]-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-aminocyclohexyl)methyl]-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)pyrrolidine-2-carboxamide is NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C2CCc3ccccc3C2)CC1.
What is the InChIKey of (2S)-N-[(4-aminocyclohexyl)methyl]-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is RBNXPGSRKWKQRH-QHZLYBBVSA-N. The full InChI is InChI=1S/C23H33N3O2/c24-20-11-7-16(8-12-20)15-25-22(27)21-6-3-13-26(21)23(28)19-10-9-17-4-1-2-5-18(17)14-19/h1-2,4-5,16,19-21H,3,6-15,24H2,(H,25,27)/t16?,19?,20?,21-/m0/s1.
What are the key properties of (2S)-N-[(4-aminocyclohexyl)methyl]-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-[(4-aminocyclohexyl)methyl]-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-aminocyclohexyl)methyl]-1-(1,2,3,4-tetrahydronaphthalene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 10572047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).