N-[4-[(6aR)-6a-methyl-5-(3-methylbutyl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide

C30H41N3O2 — CID 163450748

IUPACN-[4-[(6aR)-6a-methyl-5-(3-methylbutyl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide
SMILESCC(C)CCN1CC2CCN(c3ccc(NC(=O)c4ccc(COC5CCC5)cc4)cc3)[C@@]2(C)C1
InChIInChI=1S/C30H41N3O2/c1-22(2)15-17-32-19-25-16-18-33(30(25,3)21-32)27-13-11-26(12-14-27)31-29(34)24-9-7-23(8-10-24)20-35-28-5-4-6-28/h7-14,22,25,28H,4-6,15-21H2,1-3H3,(H,31,34)/t25?,30-/m0/s1
InChIKeyBGJXVEVEAIBHFX-QNGSWNHHSA-N
MW475.68 g/mol
LogP5.95
Rot. Bonds9

About N-[4-[(6aR)-6a-methyl-5-(3-methylbutyl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide

N-[4-[(6aR)-6a-methyl-5-(3-methylbutyl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide (PubChem CID 163450748) has the molecular formula C30H41N3O2 and a molecular weight of 475.68 g/mol. Its IUPAC name is N-[4-[(6aR)-6a-methyl-5-(3-methylbutyl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide.

Molecular Properties

Compound NameN-[4-[(6aR)-6a-methyl-5-(3-methylbutyl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide
PubChem CID163450748
Molecular FormulaC30H41N3O2
Molecular Weight475.68 g/mol
Exact Mass475.32
IUPAC NameN-[4-[(6aR)-6a-methyl-5-(3-methylbutyl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide
SMILESCC(C)CCN1CC2CCN(c3ccc(NC(=O)c4ccc(COC5CCC5)cc4)cc3)[C@@]2(C)C1
InChIInChI=1S/C30H41N3O2/c1-22(2)15-17-32-19-25-16-18-33(30(25,3)21-32)27-13-11-26(12-14-27)31-29(34)24-9-7-23(8-10-24)20-35-28-5-4-6-28/h7-14,22,25,28H,4-6,15-21H2,1-3H3,(H,31,34)/t25?,30-/m0/s1
InChIKeyBGJXVEVEAIBHFX-QNGSWNHHSA-N
XLogP5.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.68
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[(6aR)-6a-methyl-5-(3-methylbutyl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide with MolForge

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Related Compounds

4-(cyclobutyloxymethyl)-N-(4-hydroxyphenyl)benzamide
CID 143182219
N-[4-[(3aR,6aR)-5-(cyclopentylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide
CID 59558119
N-[4-[(3aR,6aR)-5-cyclopentyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide
CID 59558187
N-[4-(5-acetyl-2,3,3a,4-tetrahydropyrrolo[2,3-c]pyrrol-1-yl)phenyl]-4-(cyclobutyloxymethyl)benzamide
CID 69380498
4-(aminomethyl)-N-[4-(cyclopentyloxymethyl)phenyl]benzamide
CID 119330109
N-[4-[(3aR,6aR)-5-(furan-3-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide
CID 59558110
N-[4-[(3aR,6aR)-5-[(1-oxidopyridin-1-ium-4-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide
CID 59558131
N-[4-[(3aR,6aR)-5-[(6-methoxy-3-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide
CID 59558180
(2S)-2-amino-N-[4-(cyclopentyloxymethyl)phenyl]propanamide
CID 119330095
4-(cyclobutyloxymethyl)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-fluorophenyl]benzamide
CID 58866595
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 53277962
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CID 70325763

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6aR)-6a-methyl-5-(3-methylbutyl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide?
The IUPAC name of N-[4-[(6aR)-6a-methyl-5-(3-methylbutyl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide (CID 163450748) is N-[4-[(6aR)-6a-methyl-5-(3-methylbutyl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide.
What is the SMILES notation for N-[4-[(6aR)-6a-methyl-5-(3-methylbutyl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide?
The canonical SMILES for N-[4-[(6aR)-6a-methyl-5-(3-methylbutyl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide is CC(C)CCN1CC2CCN(c3ccc(NC(=O)c4ccc(COC5CCC5)cc4)cc3)[C@@]2(C)C1.
What is the InChIKey of N-[4-[(6aR)-6a-methyl-5-(3-methylbutyl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide?
The InChIKey is BGJXVEVEAIBHFX-QNGSWNHHSA-N. The full InChI is InChI=1S/C30H41N3O2/c1-22(2)15-17-32-19-25-16-18-33(30(25,3)21-32)27-13-11-26(12-14-27)31-29(34)24-9-7-23(8-10-24)20-35-28-5-4-6-28/h7-14,22,25,28H,4-6,15-21H2,1-3H3,(H,31,34)/t25?,30-/m0/s1.
What are the key properties of N-[4-[(6aR)-6a-methyl-5-(3-methylbutyl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide?
N-[4-[(6aR)-6a-methyl-5-(3-methylbutyl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide has a molecular weight of 475.68 g/mol, XLogP of 5.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6aR)-6a-methyl-5-(3-methylbutyl)-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]phenyl]-4-(cyclobutyloxymethyl)benzamide is sourced from PubChem (CID 163450748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).